SCHEMBL28061531

SCHEMBL28061531

COc1ccc(Sc2c(C)cc(CCC=O)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
AR P10275 1/20 0.37
PTGIR P43119 3/20 0.37
GAA P10253 1/20 0.36
TUBB1 Q9H4B7 2/20 0.36
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35

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
SCHEMBL28061510 0.81 F2RL1 (0.51) PTGS1PTGS2AKR1B1PTGDR2ALDH1A1
SCHEMBL27986845 0.78 NPBWR1 (0.41) ARTUBB1FFAR4ALDH1A1TUBB4A
SCHEMBL28061534 0.78 PTGIR (0.41) PTGS1PTGS2AKR1B1PTGDR2AR
SCHEMBL911097 0.75 TAAR1 (0.55) TUBB1ALDH1A1HTTTUBB4ATUBB
SCHEMBL28061528 0.74 RAPGEF4 (0.67) GAAFFAR4ALDH1A1GABRG2GABRB3
SCHEMBL27916620 0.73 PTGS1 (0.39) PTGS1PTGS2AKR1B1PTGDR2AR
SCHEMBL28061520 0.73 TUBB1 (0.45) PTGS1PTGS2AKR1B1PTGDR2AR
SCHEMBL28091556 0.73 FFAR4 (0.36) TUBB1FFAR4ALDH1A1MAPTTUBB4A
SCHEMBL18723690 0.72 TDP1 (0.47) PTGS1PTGS2AKR1B1PTGDR2AR
SCHEMBL27898744 0.72 PTGS1 (0.39) PTGS1PTGS2AKR1B1PTGDR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103038231-B Modulators of HEC1 activity and methods thereof Taivex Therapeutics Corp. (CN) 2016-04-20 CN disclosed