SCHEMBL4600243

SCHEMBL4600243

COc1ccc(-c2ccccc2C(=O)O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.55
PRKAG1 P54619 3/20 0.55
PRKAA2 P54646 3/20 0.55
PRKAA1 Q13131 3/20 0.55
PRKAG3 Q9UGI9 3/20 0.55
PRKAG2 Q9UGJ0 3/20 0.55
PRKAB1 Q9Y478 3/20 0.55
GRM2 Q14416 1/20 0.53
GPR35 Q9HC97 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 1/20 0.52
EIF4E P06730 1/20 0.50
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN11 Q06124 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL28036196 0.88 SMN1; SMN2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL30823011 0.85 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17454033 0.84 SMN1; SMN2 (0.55) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL29263230 0.84 HPGD (0.58) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL14397805 0.83 SMN1; SMN2 (0.58) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL16107035 0.82 SMN1; SMN2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Formaldehyde SCHEMBL29266746 0.82 HPGD (0.55) SMN1; SMN2RAB9APOLBMEN1KMT2A
SCHEMBL19320907 0.81 SMN1; SMN2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22537008 0.80 NPC1 (0.55) GRM2SMN1; SMN2RAB9ATP53KDM4E
SCHEMBL5149285 0.80 HDAC4 (0.60) SMN1; SMN2RAB9APOLBMEN1KMT2A

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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed