SCHEMBL8336802

SCHEMBL8336802

[CH2]c1ccccc1C1CC(C)CCC1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TRPM8 Q7Z2W7 4/20 0.40
TRPA1 O75762 2/20 0.40
OPRM1 P35372 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPV1 Q8NER1 2/20 0.35
P2RX4 Q99571 1/20 0.35
EPHX1 P07099 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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 0.89 KCNA5 (0.50) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL8498802 0.83 KCNA5 (0.46) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL5824341 0.81 OPRM1 (0.47) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL9792242 0.81 KCNA5 (0.42) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL2392586 0.79 OPRM1 (0.45) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL7540738 0.79 KDM1A (0.49) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL17847282 0.79 HTR2C (0.46) KCNA5ALDH1A1LMNATRPM8HPGD
SCHEMBL28635808 0.79 TRPM8 (0.46) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL30506638 0.79 HTR2C (0.46) KCNA5ALDH1A1LMNATRPM8HPGD
SCHEMBL3639819 0.77 KCNA5 (0.53) KCNA5ALDH1A1LMNATRPM8TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831871-A4 RELAXIN-LIKE FACTOR AND METHODS AND USES THEREOF CONNECTIVE THERAPEUTICS INC (US) 1999-03-03 EP disclosed
EP-0831871-A1 RELAXIN-LIKE FACTOR AND METHODS AND USES THEREOF CONNECTIVE THERAPEUTICS, INC. (US) 1998-04-01 EP disclosed
WO-1996040186-A1 RELAXIN-LIKE FACTOR AND METHODS AND USES THEREOF CONNECTIVE THERAPEUTICS, INC. (US) 1996-12-19 WO disclosed
EP-0462229-A4 CHEMICALLY MODIFIED CD4 PEPTIDE FRAGMENTS HAVING ANTI-RETROVIRAL PROPERTIES 1992-03-11 EP disclosed
EP-0462229-A1 CHEMICALLY MODIFIED CD4 PEPTIDE FRAGMENTS HAVING ANTI-RETROVIRAL PROPERTIES GENELABS, INCORPORATED (US) 1991-12-27 EP disclosed
WO-1990013562-A1 CHEMICALLY MODIFIED CD4 PEPTIDE FRAGMENTS HAVING ANTI-RETROVIRAL PROPERTIES GENELABS INCORPORATED (US) 1990-11-15 WO disclosed