SCHEMBL7727433

SCHEMBL7727433

CCC(C)Cc1ccc(C(=O)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PPARG P37231 2/20 0.38
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.38
FAAH O00519 1/20 0.38
CHRM1 P11229 1/20 0.38
PDE4A P27815 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11031966 1.00 MAPT (0.40) MAPTPPARGEPHX2ALDH1A1FAAH
SCHEMBL11105339 0.95 RARB (0.39) MAPTPPARGALDH1A1RARBADRB3
SCHEMBL9146322 0.95 RARB (0.39) MAPTPPARGALDH1A1RARBADRB3
SCHEMBL11598712 0.87 MAPT (0.44) MAPTKMT2A
SCHEMBL4577544 0.83 ALDH1A1 (0.59) MAPTALDH1A1RARBADRB3TSHR
SCHEMBL9234376 0.83 ALDH1A1 (0.59) MAPTALDH1A1RARBADRB3TSHR
SCHEMBL11531555 0.83 KMT2A (0.55) MAPTPPARGALDH1A1LMNAACACB
SCHEMBL1966513 0.82 CXCR1 (0.53) FAAHCHRM1PDE4APTGS1PTGS2
Hydrochloric Acid SCHEMBL9192168 0.81 ALDH1A1 (0.57) MAPTALDH1A1RARBADRB3TSHR
SCHEMBL19523213 0.81 PLA2G10 (0.47) MAPTEPHX2EPHX1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61277657-A None JP disclosed
WO-2021115560-A1 NEW FYN AND VEGFR2 KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2021-06-17 WO disclosed
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
EP-0285141-A1 Mesomorphic compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1988-10-05 EP disclosed
US-4775223-A DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 1988-10-04 US disclosed
EP-0267585-A2 Fluoroalkane derivative, its composition and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1988-05-18 EP disclosed
EP-0258578-A2 Liquid crystal compounds having ether tail moiety POLAROID CORPORATION (US) 1988-03-09 EP disclosed
EP-0255962-A2 Optically active mesomorphic compound CANON KABUSHIKI KAISHA (JP) 1988-02-17 EP disclosed
EP-0237007-A2 Fluoroalkane derivative and liquid crystal composition CANON KABUSHIKI KAISHA (JP) 1987-09-16 EP disclosed
JP-S61277657-A (+)-4-(4'-(2-METHYLBUTYL)BENZOYL)RESORCYLIDENE-4-SUBSTITUTED ANILINE SEIKO EPSON CORP 1986-12-08 JP disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP disclosed
EP-0164814-A2 Liquid crystalline ester compounds and mixtures thereof Chisso Corporation (JP) 1985-12-18 EP disclosed
US-4082428-A AROMATIC ESTERS SUNCRUX INCORPORATED (US) 1978-04-04 US disclosed