SCHEMBL7940169

SCHEMBL7940169

O=C(O)c1c(O)c(O)c2c(C(=O)O)c1CCCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
KMT2A Q03164 9/20 0.40
MEN1 O00255 8/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 3/20 0.40
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
PTPN6 P29350 1/20 0.39
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL5573410 0.86 PTPN1 (0.43) PTPN1KMT2AMEN1RAB9ANPC1
SCHEMBL1258695 0.78 PTPN1 (0.42) PTPN1KMT2AMEN1RAB9ANPC1
SCHEMBL728615 0.76 DPP4 (0.37) PTPN1KMT2AMEN1ALDH1A1PTPRC
SCHEMBL6603123 0.68 HTT (0.38) PTPN1KMT2AMEN1RAB9ANPC1
SCHEMBL1987618 0.68 CYP1A2 (0.35) PTPN1RAB9AALDH1A1PTPRCPTPN2
SCHEMBL6608336 0.67 MEN1 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL3034094 0.67 CYP1A2 (0.38) PTPN1KMT2AMEN1ALDH1A1PTPRC
SCHEMBL17024327 0.67 DHODH (0.41) KMT2AALDH1A1TSHRLMNAHCAR2
SCHEMBL17024326 0.67 DHODH (0.41) KMT2AALDH1A1TSHRLMNAHCAR2
SCHEMBL217840 0.67 DHODH (0.41) KMT2AALDH1A1TSHRLMNAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235830-B1 Polyurethane resin type composition for slush molding SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed