SCHEMBL8443183

SCHEMBL8443183

CCCc1cc(C(=O)CC)ccc1OC(Br)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.46
PPARA Q07869 10/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6936429 0.78 LTB4R (0.45) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL9374602 0.74 GSK3B (0.50) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL8440090 0.73 PPARG (0.44) PPARGPPARACYP1A2MAPTCYP2C9
SCHEMBL8892290 0.72 PPARG (0.41) PPARGPPARACYP1A2MAPTCYP2C9
SCHEMBL1024088 0.71 HTT (0.62) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL1023633 0.71 PPARG (0.46) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL28048633 0.70 ALDH1A1 (0.50) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL8442352 0.70 PRKCI (0.37) PPARGPPARAMEN1KMT2ATSHR
SCHEMBL6136991 0.69 LTB4R (0.44) PPARGPPARASMN1; SMN2
SCHEMBL6935194 0.69 LTB4R (0.46) PPARGPPARA

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
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed