SCHEMBL11230868

SCHEMBL11230868

CC(C)(C)c1cc2c(cc1O)OCC(n1ccnc1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.33
ALOX12 P18054 3/20 0.33
ALOX15 P16050 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 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
Hydrochloric Acid SCHEMBL11229170 0.99 ALOX12 (0.33) CYP19A1ALOX12ALOX15KDM4EALDH1A1
SCHEMBL11240152 0.97 ALOX12 (0.34) CYP19A1ALOX12ALOX15KDM4EALDH1A1
SCHEMBL11237282 0.82 CYP19A1 (0.37) CYP19A1ALOX12ALOX15
SCHEMBL11228903 0.82 ALOX12 (0.35) CYP19A1ALOX12ALOX15
SCHEMBL11239412 0.82 HSP90AA1 (0.38) CYP19A1ALOX12ALOX15
Hydrochloric Acid SCHEMBL11221160 0.81 CYP19A1 (0.36) CYP19A1ALOX12ALOX15
SCHEMBL11226406 0.81
SCHEMBL11232796 0.81 CYP19A1 (0.51) CYP19A1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11229815 0.80
SCHEMBL10859764 0.80 CYP17A1 (0.38) CYP19A1ALOX15KDM4EALDH1A1CYP1A2

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-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US claimed
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US disclosed