SCHEMBL15660720

SCHEMBL15660720

CCCCc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.54
TSHR P16473 2/20 0.52
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
CTRC Q99895 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
TP53 P04637 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL27525448 0.98 RARB (0.53) RARBTSHREPHX2NR1H4CTRC
SCHEMBL8506562 0.94 RARB (0.56) RARBTSHRMEN1ALDH1A1RARA
SCHEMBL14037607 0.90 TSHR (0.55) RARBTSHREPHX2NR1H4MEN1
SCHEMBL15662455 0.87 TSHR (0.43) RARBTSHRCTRCAKR1C2AKR1C1
SCHEMBL17198001 0.84 TSHR (0.61) TSHREPHX2NR1H4MEN1ALDH1A1
SCHEMBL15661159 0.83 MAPT (0.53) TSHRMEN1ALDH1A1MAPTKMT2A
SCHEMBL850741 0.81 TYR (0.61) RARBTSHRMEN1MAPTKMT2A
SCHEMBL1356425 0.81 RARB (0.51) RARBTSHRMEN1ALDH1A1RARA
SCHEMBL28407110 0.81 RARB (0.54) RARBTSHREPHX2MEN1ALDH1A1
SCHEMBL7052993 0.81 TSHR (0.57) RARBTSHREPHX2NR1H4ALDH1A1

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
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed