SCHEMBL6946652

SCHEMBL6946652

COc1ccccc1C1(O)CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
PIN1 Q13526 3/20 0.47
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TACR1 P25103 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL28076879 0.78 CYP3A4 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6289733 0.77 KDM1A (0.41) SIGMAR1KDM1AMAOBOPRM1OPRD1
SCHEMBL19130585 0.77 KDM1A (0.41) SIGMAR1KDM1AMAOBOPRM1OPRD1
SCHEMBL3053835 0.77 KDM1A (0.43) KDM1AMAOBCHRM2CHRM4CHRM5
SCHEMBL4009067 0.76 SIGMAR1 (0.51) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL16798079 0.75 PDK2 (0.44) SIGMAR1PIN1KMT2ACYP3A4CYP11B1
SCHEMBL8865370 0.74 OPRM1 (0.49) SIGMAR1PIN1KDM1AOPRM1OPRD1
SCHEMBL27768604 0.73 KDM1A (0.38) SIGMAR1KDM1AMAOB
SCHEMBL3540912 0.73 SIGMAR1 (0.39) SIGMAR1PIN1KDM1AMAOAMAOB
SCHEMBL5796055 0.73 HDAC9 (0.50) SIGMAR1KDM1AMAOBCYP3A4CYP11B2

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
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-1146874-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2002-06-05 EP disclosed
EP-1146874-A1 VITRONECTIN RECEPTOR ANTAGONIST SmithKline Beecham Corporation (US) 2001-10-24 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-2000033838-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 WO disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed