SCHEMBL7907728

SCHEMBL7907728

CCOC(=O)c1nc(-c2ccc(OCCCCCCCCCCO)cc2)sc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.46
RARA P10276 3/20 0.46
RARG P13631 3/20 0.46
PTPN11 Q06124 2/20 0.45
TRPM8 Q7Z2W7 4/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41

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
SCHEMBL7898920 0.87 RARB (0.47) RARBRARARARGRAB9ANPC1
SCHEMBL10552788 0.82 TARBP2 (0.57) RARBRARARARGPTPN11TRPM8
SCHEMBL7907788 0.79 TRPM8 (0.56) RARBRARARARGTRPM8LMNA
SCHEMBL2880217 0.78 RARA (0.66) RARBRARARARGTRPM8LMNA
SCHEMBL8640140 0.76 KCNH2 (0.62) RARBMAPTALDH1A1
SCHEMBL22460192 0.76 CDC7 (0.67) RARBRARARARGMEN1KMT2A
SCHEMBL7898917 0.76 ATP4A (0.42) PTPN11LMNARAB9AMAPTATP4A
SCHEMBL20642209 0.75 MAPT (0.68) RARBRARARARGTRPM8LMNA
SCHEMBL29660336 0.75 PTPN11 (0.55) RARBRARARARGPTPN11TRPM8
SCHEMBL13345947 0.75 RARB (0.53) RARBRARARARGTRPM8LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed