SCHEMBL9102645

SCHEMBL9102645

CC(=O)Oc1ccc(CCCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ELANE P08246 1/20 0.54
RARB P10826 6/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.47
RXRA P19793 1/20 0.47

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
SCHEMBL23894744 0.89 LMNA (0.57) HSD17B10NPC1RAB9ASMN1; SMN2ELANE
SCHEMBL8564239 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ELANEKMT2A
SCHEMBL40184 0.86 HSD17B10 (0.88) HSD17B10RAB9AELANEKMT2AMEN1
SCHEMBL9099319 0.85 PARP10 (0.51) HSD17B10NPC1RAB9ASMN1; SMN2ELANE
Propane SCHEMBL28675522 0.84 HSD17B10 (0.79) HSD17B10NPC1RAB9ASMN1; SMN2ELANE
Methane SCHEMBL7956977 0.84 HSD17B10 (0.85) HSD17B10RAB9AELANEKMT2AMEN1
SCHEMBL7026750 0.84 HSD17B10 (0.85) HSD17B10RAB9AELANEKMT2AMEN1
Hydrochloric Acid SCHEMBL1374059 0.84 HSD17B10 (0.85) HSD17B10RAB9AELANEKMT2AMEN1
SCHEMBL12305405 0.83 CALM1 (0.62) SMN1; SMN2LMNAPOLBESR1
SCHEMBL8565931 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ELANEKMT2A

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-0712388-A1 USE OF PHENOLS AND PHENOL DERIVATES AS MEDICAMENTS WITH FIBRINOGEN-REDUCING EFFECT Roche Diagnostics GmbH (DE) 1996-05-22 EP disclosed
WO-1995005358-A1 USE OF PHENOLS AND PHENOL DERIVATES AS MEDICAMENTS WITH FIBRINOGEN-REDUCING EFFECT BOEHRINGER MANNHEIM GMBH (DE) 1995-02-23 WO disclosed