SCHEMBL10397264

SCHEMBL10397264

CC(C)Cc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.49
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
TRPA1 O75762 1/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39

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
SCHEMBL3640374 0.84 TYR (0.50) TYRTSHRGAAHTTNPSR1
SCHEMBL3638975 0.83 GABRA1 (0.53) TYRTSHRNPSR1GABRA1GABRB2
SCHEMBL11349247 0.83 TYR (0.49) TYRTSHRGAAHTTNPSR1
SCHEMBL11801194 0.81 TYR (0.47) TYRTSHRGAAHTTNPSR1
SCHEMBL9191729 0.80 TYR (0.50) TYRTSHRGAAHTTNPSR1
SCHEMBL11789246 0.80 GSR (0.62) TYRTSHRGAAHTTNPSR1
SCHEMBL288102 0.80 TYR (0.56) TYRTSHRGAAHTTNPSR1
SCHEMBL11651006 0.80 TYR (0.56) TYRTSHRGAAHTTNPSR1
SCHEMBL10398728 0.79 TYR (0.45) TYRTSHRGAAHTTNPSR1
SCHEMBL10778517 0.79 TYR (0.45) TYRTSHRGAAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937311-A Heat resistant molding material BAYER AKTIENGESELLSCHAFT, LEVERKUSEN, GERMANY, A CORP. OF GERMANY (DE) 1990-06-26 US disclosed
EP-0340522-A2 Aromatic polyesters and polyester carbonates with aralkyl phenyl end groups, their preparation and use BAYER AG (DE) 1989-11-08 EP disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed