SCHEMBL9249237

SCHEMBL9249237

CCCCCCCC=C[C@@H]1CCC(C)(C)C[C@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.35
ALOX5 P09917 4/20 0.33
TERT O14746 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DUSP3 P51452 1/20 0.31
MMP2 P08253 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL8713706 1.00 GBA1 (0.35) GBA1ALOX5TERTGMNNUSP2
SCHEMBL9249244 1.00 GBA1 (0.35) GBA1ALOX5TERTGMNNUSP2
SCHEMBL9249234 1.00 GBA1 (0.35) GBA1ALOX5TERTGMNNUSP2
SCHEMBL8715893 0.80 FAAH (0.33) ALOX5CYP1A2CYP2C19
SCHEMBL9247176 0.80 FAAH (0.33) ALOX5CYP1A2CYP2C19
SCHEMBL9247184 0.80 FAAH (0.33) ALOX5CYP1A2CYP2C19
SCHEMBL8715892 0.77 FAAH (0.33) ALOX5CYP1A2CYP2C19
SCHEMBL9244435 0.76 TBXAS1 (0.40)
SCHEMBL9246756 0.76 TBXAS1 (0.40)
SCHEMBL9244429 0.76 TBXAS1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 EP disclosed