SCHEMBL9066697

SCHEMBL9066697

CC1CCC(C(C)C)C(c2cccc(C3CC(C)CCC3C(C)C)c2OP(=O)(Oc2c(C3CC(C)CCC3C(C)C)cccc2C2CC(C)CCC2C(C)C)Oc2c(C3CC(C)CCC3C(C)C)cccc2C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
TRPV1 Q8NER1 7/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL10700915 0.79 KCNA5 (0.50) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL2392586 0.77 OPRM1 (0.45) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL11675663 0.75 ALDH1A1 (0.46) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL31506330 0.74 KCNA5 (0.46) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL11051375 0.74 TRPV1 (0.35) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL8498802 0.74 KCNA5 (0.46) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL17847282 0.73 HTR2C (0.46) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL7540738 0.73 KDM1A (0.49) KCNA5ALDH1A1LMNATRPM8HPGD
SCHEMBL4638544 0.73 OPRM1 (0.45) KCNA5ALDH1A1LMNATRPV1TRPM8
SCHEMBL30506638 0.73 HTR2C (0.46) KCNA5ALDH1A1LMNATRPV1TRPM8

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
EP-0714932-A2 Flame proof polycarbonate composition CHEIL INDUSTRIES INC. (KR) 1996-06-05 EP claimed