SCHEMBL8946252

SCHEMBL8946252

COc1ccc2[nH]c(CCC(=O)O)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.67
MTNR1B P49286 2/20 0.67
LOXL2 Q9Y4K0 1/20 0.61
HRH3 Q9Y5N1 3/20 0.58
PDGFRB P09619 2/20 0.57
PDGFRA P16234 2/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
CYP1A2 P05177 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL22074027 0.89 MTNR1A (0.68) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL29390774 0.87 LOXL2 (0.63) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL1331625 0.87 LOXL2 (0.63) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL867547 0.82 LOXL2 (0.75) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL7952644 0.81 LOXL2 (0.69) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL10850541 0.81 MTNR1A (0.58) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL28468935 0.81 MTNR1A (1.00) MTNR1AMTNR1BLOXL2HRH3ALDH1A1
SCHEMBL15224006 0.81 MTNR1A (0.65) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL16756016 0.81 MTNR1A (0.66) MTNR1AMTNR1BLOXL2HRH3PDGFRB
SCHEMBL3052921 0.80 LOXL2 (0.58) LOXL2PDGFRBPDGFRAALDH1A1KDM4E

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-5493027-A ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-02-20 US disclosed
WO-1994017042-A1 ANTICONVULSIVE AGENTS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-08-04 WO disclosed