SCHEMBL3729385

SCHEMBL3729385

COC(=O)C(C)c1ccc2cccc-2cc1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.58
PTGS1 P23219 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.46
MT-CO2 P00403 1/20 0.45
USP2 O75604 1/20 0.43

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
SCHEMBL4827831 0.94 PTGS2 (0.67) PTGS2PTGS1HPGDKMT2AUSP2
SCHEMBL4217690 0.87 FFAR1 (0.49) PTGS2PTGS1HPGD
SCHEMBL5033496 0.84 PTGS2 (0.66) PTGS2PTGS1KMT2A
SCHEMBL5791303 0.84 AKR1C3 (0.55) PTGS2PTGS1
SCHEMBL183940 0.82 KMT2A (0.67) PTGS2PTGS1HPGDKMT2A
SCHEMBL5544986 0.82 KMT2A (0.67) PTGS2PTGS1HPGDKMT2A
SCHEMBL5537242 0.82 KMT2A (0.67) PTGS2PTGS1HPGDKMT2A
SCHEMBL11130803 0.82 HPGD (0.53) PTGS2PTGS1HPGDKMT2AMT-CO2
SCHEMBL12896284 0.82 HPGD (0.53) PTGS2PTGS1HPGDKMT2AMT-CO2
SCHEMBL7005391 0.82 PTGS2 (0.53) PTGS2PTGS1HPGD

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-7824715-B2 Perfume compositions QUEST INTERNATIONAL B. V. (NL) 2010-11-02 US disclosed