SCHEMBL8940370

SCHEMBL8940370

C=CCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
RARB P10826 5/20 0.59
HTT P42858 1/20 0.58
PKM P14618 1/20 0.57
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TP53 P04637 1/20 0.51
PLA2G4B P0C869 2/20 0.50
SRD5A2 P31213 1/20 0.49

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
SCHEMBL3313611 0.95 ALDH1A1 (0.84) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL8940429 0.92 ALDH1A1 (0.91) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL8175158 0.91 ALDH1A1 (0.82) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL10700779 0.89 ALDH1A1 (0.80) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL8606864 0.89 ALDH1A1 (0.80) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL9146800 0.89 ALDH1A1 (0.80) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL8377630 0.89 ALDH1A1 (0.80) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL4350348 0.87 ALDH1A1 (1.00) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL23280860 0.86 ALDH1A1 (0.78) ALDH1A1L3MBTL1RARBHTTPKM
SCHEMBL1871410 0.85 ALDH1A1 (0.90) ALDH1A1L3MBTL1RARBHTTPKM

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-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 US disclosed