SCHEMBL9520212

SCHEMBL9520212

CCCC(=O)C=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.61
RAB9A P51151 4/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
XDH P47989 1/20 0.50
APP P05067 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9520208 1.00 IAPP (0.61) IAPPRAB9AKMT2ANPC1ALDH1A1
SCHEMBL11070375 0.90 IAPP (0.63) IAPPRAB9AKMT2ANPC1ALDH1A1
SCHEMBL11077596 0.86 IAPP (0.57) IAPPRAB9AKMT2ANPC1ALDH1A1
SCHEMBL574952 0.84 ALDH1A1 (0.70) IAPPRAB9AKMT2ANPC1ALDH1A1
SCHEMBL574953 0.84 ALDH1A1 (0.70) IAPPRAB9AKMT2ANPC1ALDH1A1
SCHEMBL27832637 0.82 RAB9A (0.72) IAPPRAB9AKMT2ANPC1ALDH1A1
SCHEMBL19236353 0.82 IAPP (0.70) IAPPRAB9AKMT2AAPPAKR1B10
SCHEMBL20273252 0.82 RAB9A (0.72) IAPPRAB9AKMT2ANPC1ALDH1A1
Butane SCHEMBL67951 0.82 ESR1 (0.58) ALDH1A1KDM4ESMN1; SMN2XDHTP53
SCHEMBL11069913 0.82 IAPP (0.56) IAPPRAB9AKMT2ANPC1ALDH1A1

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-0316790-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-08-11 EP disclosed
US-4897406-A CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-01-30 US disclosed
EP-0316790-A1 Rhodanine derivatives, a process for their preparation, pharmaceutical compositions and their use NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-24 EP disclosed