SCHEMBL7700795

SCHEMBL7700795

CCOC(=O)C=CC[C@@H](C)CCC=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL7700794 1.00 ALOX15 (0.50) ALOX15MAPTALDH1A1USP2HCAR2
SCHEMBL14143123 1.00 ALOX15 (0.50) ALOX15MAPTALDH1A1USP2HCAR2
SCHEMBL7700791 1.00 ALOX15 (0.50) ALOX15MAPTALDH1A1USP2HCAR2
SCHEMBL11752925 0.89 ALOX15 (0.46) ALOX15MAPTALDH1A1USP2HCAR2
SCHEMBL11752919 0.89 ALOX15 (0.46) ALOX15MAPTALDH1A1USP2HCAR2
SCHEMBL9618072 0.84 ALOX15 (0.49) ALOX15ALDH1A1USP2HCAR2TSHR
SCHEMBL9618071 0.84 ALOX15 (0.49) ALOX15ALDH1A1USP2HCAR2TSHR
SCHEMBL8347186 0.84 ALOX15 (0.49) ALOX15ALDH1A1USP2HCAR2TSHR
SCHEMBL4195956 0.82 MAPT (0.46) MAPTALDH1A1HCAR2TSHRLMNA
SCHEMBL4199147 0.82 MAPT (0.46) MAPTALDH1A1HCAR2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983221-B1 CYCLOHEXANEDIOL DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-04-03 EP disclosed
EP-0983221-A1 CYCLOHEXANEDIOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-08 EP disclosed
US-5969190-A TREATING HYPERPROLIFERATIVE SKIN DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
WO-1998052894-A1 CYCLOHEXANEDIOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1998-11-26 WO disclosed