SCHEMBL4916533

SCHEMBL4916533

CC1Cc2c(C(=O)O)ccc(C(=O)O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HAAO P46952 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL5499018 0.86 KMT2A (0.44) CYP1A2ALDH1A1ALOX15KMT2AUSP2
SCHEMBL6432329 0.77 CYP1A2 (0.44) CYP1A2MAPK1ALDH1A1ALOX15SELL
SCHEMBL370115 0.77 CYP1A2 (0.44) CYP1A2MAPK1ALDH1A1ALOX15SELL
SCHEMBL187691 0.77 CYP1A2 (0.39) CYP1A2MAPK1ALDH1A1ALOX15SELL
SCHEMBL667757 0.74 CYP1A2 (0.41) CYP1A2MAPK1ALDH1A1ALOX15SELL
SCHEMBL25509092 0.74 TRPV1 (0.42) ALDH1A1KMT2A
SCHEMBL15746289 0.74 ALDH1A1 (0.43) CYP1A2MAPK1ALDH1A1ALOX15KMT2A
SCHEMBL26829407 0.73 AKR1C3 (0.45) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL9329830 0.72 PARP1 (0.58) CYP1A2MAPK1ALDH1A1TSHRPARP1
SCHEMBL250425 0.72 CYP1A2 (0.40) CYP1A2ALDH1A1KMT2AHTTUSP2

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
US-20080177007-A1 ACETALDEHYDE SCAVENGER AND POLYESTER BLEND CONTAINING THE SAME FAR EASTERN TEXTILE LTD. 2008-07-24 US claimed
US-20080177007-A1 ACETALDEHYDE SCAVENGER AND POLYESTER BLEND CONTAINING THE SAME FAR EASTERN TEXTILE LTD. 2008-07-24 US disclosed