SCHEMBL11345480

SCHEMBL11345480

C=CCC(O)(Cn1ccnc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
POLB P06746 1/20 0.40
CYP17A1 P05093 2/20 0.39
FDPS P14324 2/20 0.38
GGPS1 O95749 2/20 0.38
QPCT Q16769 1/20 0.38
BTN3A1 O00481 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
Hydrochloric Acid SCHEMBL11343036 0.99 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2POLBCYP17A1
SCHEMBL11344351 0.87 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2FDPSGGPS1
SCHEMBL11343982 0.87 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2POLBFDPS
SCHEMBL10875480 0.87 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2LMNACYP3A4
SCHEMBL11346895 0.86 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2POLBCYP17A1
Hydrochloric Acid SCHEMBL11355491 0.86 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2FDPS
Hydrochloric Acid SCHEMBL11355056 0.86 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2POLBFDPS
Hydrochloric Acid SCHEMBL11357503 0.86 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2LMNACYP3A4
Hydrochloric Acid SCHEMBL11352027 0.85 CYP11B1 (0.56) CYP19A1CYP11B1CYP11B2POLBCYP17A1
SCHEMBL11273678 0.82 CYP17A1 (0.50) CYP19A1CYP11B1CYP11B2POLBCYP17A1

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
EP-0033501-A2 Beta-imidazolyl alcohols, process for their preparation, fungicides containing them, and method of combating fungi therewith BASF Aktiengesellschaft (DE) 1981-08-12 EP claimed
EP-0033501-A2 Beta-imidazolyl alcohols, process for their preparation, fungicides containing them, and method of combating fungi therewith BASF Aktiengesellschaft (DE) 1981-08-12 EP disclosed