SCHEMBL9256562

SCHEMBL9256562

Cc1ccccc1C(=C1CC[N]CC1)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ELANE P08246 1/20 0.35
TYK2 P29597 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ENPP3 O14638 1/20 0.34
ALPL P05186 1/20 0.34
XIAP P98170 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL9253634 0.89 SETD7 (0.43) SMN1; SMN2HPGDALDH1A1ERCC5FEN1
SCHEMBL9253253 0.78 CES2 (0.42) HTTHPGDALDH1A1CYP2C19ELANE
SCHEMBL9258377 0.78 CES2 (0.42) HTTHPGDALDH1A1TSHRERCC5
SCHEMBL9613657 0.74 SETD7 (0.61) SMN1; SMN2HTTHPGDALDH1A1CYP3A4
SCHEMBL14707030 0.73 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL9253170 0.70 OPRM1 (0.48) HTTALDH1A1TSHRNPC1RAB9A
SCHEMBL9257091 0.69 OPRM1 (0.44) SMN1; SMN2HTTALDH1A1ERCC5FEN1
SCHEMBL18469361 0.67 RAB9A (0.42) SMN1; SMN2HTTHPGDALDH1A1CYP3A4
SCHEMBL2038760 0.65 ACHE (0.53) SMN1; SMN2HTTHPGDALDH1A1TSHR
SCHEMBL39369 0.63 TSHR (0.50) SMN1; SMN2HTTHPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed