SCHEMBL9643140

SCHEMBL9643140

CCCC(=O)Oc1c(OC(C)CCC)c(OC(C)CCC)c(OC(C)=O)c2cccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9643113 1.00 CCNB2 (0.35) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9642340 0.94 CCNB2 (0.38) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9641878 0.87 CCNB2 (0.36) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9643518 0.87 CCNB2 (0.36) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL10705541 0.86 CCNB2 (0.42) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9643461 0.84 CCNB2 (0.35) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9641661 0.84 CCNB2 (0.35) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9643144 0.80 PPARG (0.36) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9643118 0.80 PPARG (0.36) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9641640 0.79 KDM4E (0.35) ALOX15HTTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed