SCHEMBL7473932

SCHEMBL7473932

CC1(C)c2ccccc2[C@](C)(c2ccc(C(=O)O)cc2)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
RXRA P19793 9/20 0.38
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SRD5A2 P31213 1/20 0.38
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
TYR P14679 1/20 0.36
DRD1 P21728 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL5958163 0.78 KMO (0.40) GAAPKMTSHRDAONAPRT
SCHEMBL4340748 0.69 RXRA (0.40) TSHRRXRACYP26A1CYP26B1RARB
SCHEMBL10872318 0.69 RXRA (0.43) TSHRRXRACYP26A1CYP26B1TP53
Terephthalic Acid SCHEMBL9551780 0.66 RXRA (0.67) TSHRRXRACYP26A1RARBRARG
SCHEMBL17281437 0.66 RXRA (0.49) GAAPKMRXRACYP26A1CYP26B1
SCHEMBL13033700 0.65 TSHR (0.52) TSHRDAONAPRTRXRACES2
SCHEMBL29995499 0.65 GAA (0.58) GAAPKMTSHRDAONAPRT
SCHEMBL30934486 0.65 GAA (0.58) GAAPKMTSHRDAONAPRT
SCHEMBL5667740 0.65 GAA (0.58) GAAPKMTSHRDAONAPRT
SCHEMBL20010306 0.64 GAA (0.57) GAAPKMTSHRDAONAPRT

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-20020155365-A1 Photoconductive elements having a polymeric barrier layer FAR EAST DEVELOPMENT LTD. 2002-10-24 US claimed