SCHEMBL11005198

SCHEMBL11005198

OCCCC(O)(Cn1ccnc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
POLB P06746 1/20 0.43
QPCT Q16769 2/20 0.41
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
CYP17A1 P05093 2/20 0.39
FDPS P14324 1/20 0.38
PTGS2 P35354 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
SCHEMBL11005973 0.85 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2QPCTPTGS2
SCHEMBL11273678 0.82 CYP17A1 (0.50) CYP19A1CYP11B1CYP11B2POLBQPCT
SCHEMBL11002369 0.82 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2POLB
Hydrochloric Acid SCHEMBL10875164 0.81 CYP17A1 (0.49) CYP19A1CYP11B1CYP11B2POLBQPCT
SCHEMBL8757551 0.81 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2POLBQPCT
SCHEMBL28857747 0.79 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2POLBQPCT
SCHEMBL11345480 0.79 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2POLBQPCT
SCHEMBL10768224 0.78 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2PTGS2
Hydrochloric Acid SCHEMBL11343036 0.78 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2POLBQPCT
SCHEMBL11084800 0.76 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2POLBQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150036-A1 Azolyl-aryl-alkanole-derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-31 EP claimed