SCHEMBL4739739

SCHEMBL4739739

O=C(O)c1ccccc1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.59
PTPN1 P18031 1/20 0.59
MRGPRX4 Q96LA9 4/20 0.57
TP53 P04637 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
XBP1 P17861 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PTPRG P23470 1/20 0.55
MITF O75030 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PTGER1 P34995 2/20 0.54

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
SCHEMBL7908609 0.85 MRGPRX4 (0.61) PTPRCPTPN1MRGPRX4NPC1RAB9A
SCHEMBL1388182 0.83 PTGER1 (0.60) MRGPRX4TP53HPGDHTTRXRA
SCHEMBL1388211 0.82 PTGER1 (0.60) MRGPRX4TP53HPGDRXRARXRB
SCHEMBL5839878 0.82 PTGER1 (0.56) MRGPRX4TP53HPGDHTTRXRA
SCHEMBL112903 0.81 SGMS2 (0.66) HTTNPC1KMT2APTGER1MAPT
SCHEMBL29433417 0.81 SGMS2 (0.66) HTTNPC1KMT2APTGER1MAPT
SCHEMBL1388149 0.81 CAPN1 (0.60) MRGPRX4HTTNPC1RAB9AMEN1
SCHEMBL10390231 0.80 MAOB (0.52) PTPRCPTPN1MRGPRX4TP53HPGD
SCHEMBL27610143 0.80 GAA (0.64) HPGDHTTRXRARXRBNPC1
SCHEMBL28346227 0.79 RXRA (0.56) MRGPRX4HTTRXRARXRBKMT2A

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
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed