SCHEMBL6567210

SCHEMBL6567210

CC(C)Cc1ccc(CCCCC=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
NR1I3 Q14994 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CXCL8 P10145 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL9674964 0.94 GPR84 (0.43) GPR84PTGS1PTGS2LMNACYP2C9
SCHEMBL1516646 0.86 GPR84 (0.45) GPR84PTGS1PTGS2LMNACYP2C9
Propionaldehyde SCHEMBL10752247 0.81 GPR84 (0.42) GPR84PTGS1PTGS2LMNACYP2C9
SCHEMBL3205913 0.81 TYR (0.44) LMNAHTR2AEPHX1ALDH1A1
SCHEMBL5643927 0.79 IGF1R (0.48) GPR84TSHRALDH1A1
SCHEMBL11204532 0.79 TAAR1 (0.45) PTGS1PTGS2LMNAESR1ADRB3
SCHEMBL8827593 0.77 TSHR (0.64) PTGS1PTGS2LMNAESR1ADRB3
SCHEMBL97939 0.77 TSHR (0.64) PTGS1PTGS2LMNAESR1ADRB3
SCHEMBL9340221 0.76 PTGS1 (0.46) GPR84PTGS1PTGS2LMNACYP2C9
SCHEMBL1131565 0.76 ESR1 (0.55) PTGS1PTGS2LMNAESR1ADRB3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1410109-A1 PHOTOSENSITIVE RESIN COMPOSITION Ciba SC Holding AG (CH) 2004-04-21 EP disclosed
WO-2003010602-A1 PHOTOSENSITIVE RESIN COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-02-06 WO disclosed
EP-0268242-B1 PAF-ANTAGONISTIC THIENOTRIAZOLODIAZEPINE COMPOUNDS AND PHARMACEUTICAL USES THEREOF Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1992-03-18 EP disclosed
US-4820703-A TREATMENT OF INFLAMMATORY, RESPIRATORY AND CARDIOVASCULAR DISEASES YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1989-04-11 US disclosed
EP-0268242-A1 PAF-antagonistic thienotriazolodiazepine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-05-25 EP disclosed