SCHEMBL7426663

SCHEMBL7426663

CCCCc1ccc2c(c1)OCC(C=O)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
CALM1 P0DP23 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SKP2 Q13309 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7440239 0.80 PNMT (0.39) THRBHPGDKMT2A
SCHEMBL7426673 0.78 HPGD (0.48) TRPV1HDAC1HDAC3HDAC2HDAC6
SCHEMBL7434823 0.78 AR (0.37) THRBHPGD
SCHEMBL7446269 0.76 HPGD (0.32) HPGD
SCHEMBL7437340 0.75 CA2 (0.42) KMT2A
SCHEMBL29604675 0.73 TAAR1 (0.62) TRPV1CALM1HDAC1HDAC3HDAC2
SCHEMBL18414428 0.73 TRPV1 (0.52) TRPV1CALM1TAAR1SKP2HPGD
SCHEMBL4055725 0.73 TAAR1 (0.62) TRPV1CALM1HDAC1HDAC3HDAC2
SCHEMBL2487394 0.72 CA2 (0.48)
SCHEMBL7430118 0.72 TAAR1 (0.40) TRPV1CALM1HDAC1HDAC3HDAC2

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed