SCHEMBL990786

SCHEMBL990786

CC(C)C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRYAB P02511 5/20 0.74
USP2 O75604 2/20 0.74
ALDH1A1 P00352 2/20 0.74
CYP3A4 P08684 2/20 0.74
MAPT P10636 2/20 0.74
ALOX15 P16050 2/20 0.74
LMNA P02545 1/20 0.74
CRYAA P02489 1/20 0.73
PTGES O14684 2/20 0.61
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55

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
SCHEMBL990785 1.00 CRYAB (0.74) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL19199340 0.90 CRYAB (0.77) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL19194028 0.88 CRYAB (0.74) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL19194027 0.88 CRYAB (0.74) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL288307 0.87 CRYAB (0.80) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL13499192 0.87 CRYAB (0.80) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL6130528 0.87 CRYAB (0.80) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL568417 0.87 CRYAB (0.80) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL26237645 0.87 CRYAB (0.80) CRYABUSP2ALDH1A1CYP3A4MAPT
SCHEMBL288306 0.87 CRYAB (0.80) CRYABUSP2ALDH1A1CYP3A4MAPT

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
US-20120195988-A1 Therapeutic Uses for Plants of the Capsicum Genus REZAI-FARD ALI (GB) 2012-08-02 US disclosed
EP-2456453-A1 THERAPEUTIC USES FOR PLANTS OF THE CAPSICUM GENUS Rezai-Fard, Ali (GB) 2012-05-30 EP disclosed
WO-2011010090-A1 THERAPEUTIC USES FOR PLANTS OF THE CAPSICUM GENUS REZAI-FARD ALI (GB) 2011-01-27 WO disclosed