SCHEMBL20122036

SCHEMBL20122036

COc1ccc(Nc2ccc(CCC(=O)O)cc2)cc1C1CC2CC3CC(C)C1C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
FFAR1 O14842 7/20 0.39
FFAR4 Q5NUL3 1/20 0.37
KDM1A O60341 1/20 0.37
SELP P16109 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
PPARD Q03181 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL20122019 0.88 EPHX2 (0.41) EPHX2FFAR1FFAR4KDM1A
SCHEMBL17911590 0.73 EPHX2 (0.52) EPHX2FFAR1FFAR4KMT2APOLB
SCHEMBL20122035 0.72 EPHX2 (0.47) EPHX2FFAR1KMT2APOLBSMN1; SMN2
SCHEMBL17916358 0.69 EPHX2 (0.42) EPHX2FFAR1FFAR4KDM1AKMT2A
SCHEMBL17911599 0.69 FFAR1 (0.48) EPHX2FFAR1FFAR4KDM1AKMT2A
SCHEMBL5652618 0.65 FFAR1 (0.63) FFAR1FFAR4CA1CA2
SCHEMBL347209 0.64 FFAR4 (0.61) FFAR1FFAR4KMT2AMEN1CA1
Hydrochloric Acid SCHEMBL3225386 0.63 FFAR4 (0.59) FFAR1FFAR4KMT2AMEN1CA1
SCHEMBL17911600 0.63 EPHX2 (0.57) EPHX2FFAR1FFAR4KMT2ASMN1; SMN2
SCHEMBL4883797 0.62 FFAR1 (0.54) FFAR1FFAR4POLB

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-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed