SCHEMBL7770997

SCHEMBL7770997

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](C3CC[CH]CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7770998 1.00 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL42708 0.84
SCHEMBL7770611 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL7770608 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL20888526 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL7770613 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL8849504 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15
SCHEMBL18472536 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15
SCHEMBL14973466 0.78
SCHEMBL6842322 0.78

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-0747336-B1 Alkenyl cyclohexane derivatives and liquid crystal compositions CHISSO CORP (JP) 2001-07-25 EP disclosed
US-5709820-A MIXTURES CHISSO CORPORATION (JP) 1998-01-20 US disclosed
EP-0747336-A1 Alkenyl cyclohexane derivatives and liquid crystal compositions Chisso Corporation (JP) 1996-12-11 EP disclosed