SCHEMBL3280576

SCHEMBL3280576

CCC1(c2cccc(Br)c2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL28875142 0.87 L3MBTL1 (0.36) ALDH1A1MAPK1SIGMAR1CYP1A2CYP2C19
SCHEMBL11465239 0.84 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13593734 0.81 CHRNA1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11738097 0.78 ALDH1A1 (0.39) KDM1ARCOR1ALDH1A1MAPK1CYP1A2
SCHEMBL14779113 0.77 TSHR (0.47) ALDH1A1MAPK1SIGMAR1CYP1A2CYP2C19
SCHEMBL855229 0.77 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3279952 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8402532 0.73 KDM1A (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3129922 0.72 CHRNA1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8377615 0.72 ALDH1A1 (0.35) KDM1ARCOR1ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55009028-A None JP disclosed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
CN-1267394-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-08-02 CN disclosed
CN-1549803-A Vitamin D analogues �������о�����չ˽�����޹�˾ 2004-11-24 CN disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed
JP-S559028-A NOVEL 3'-(ALPHA-HYDROXYBENZYL)-PROPIOPHENONE AND ITS PREPARATION SHIOIRI TAKAYUKI 1980-01-22 JP disclosed