SCHEMBL7757013

SCHEMBL7757013

O=C(CC(Br)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GSK3B P49841 2/20 0.52
PTPN1 P18031 1/20 0.52
PDPK1 O15530 2/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 4/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 3/20 0.50
CES1 P23141 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL17446096 0.88 ALDH1A1 (0.56) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6200667 0.81 TSHR (0.63) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL777871 0.81 GABBR2 (0.53) MAPTLMNAMAPK1CES1CYP2C19
SCHEMBL9066674 0.79 ATM (0.74) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2141566 0.78 PDPK1 (0.78) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL22319291 0.78 CES2 (0.48) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL7050949 0.78 TSHR (0.59) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2655629 0.78 CES2 (0.48) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL7470869 0.78 CYP2C19 (0.51) ALDH1A1SMN1; SMN2L3MBTL1LMNANPSR1
SCHEMBL3077522 0.78 TSHR (0.59) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1309637-A Compositions comprising 2-phenyl-indole compounds and estrogen formutations AMERICAN HOME PROD (US) 2001-08-22 CN disclosed
EP-1080073-A1 COMPOSITIONS COMPRISING 2-PHENYL-INDOLE COMPOUNDS AND ESTROGEN FORMULATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-03-07 EP disclosed
WO-1999059969-A1 COMPOSITIONS COMPRISING 2-PHENYL-INDOLE COMPOUNDS AND ESTROGEN FORMULATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO disclosed
EP-0197752-B1 PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-09-12 EP disclosed