SCHEMBL11228994

SCHEMBL11228994

CC(C)(C)c1ccc2c(c1)OCC(n1ccnc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.41
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
PTPN1 P18031 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL11232796 0.92 CYP19A1 (0.51) CYP19A1ALDH1A1LMNAKMT2AHTT
SCHEMBL11229062 0.81 CYP19A1 (0.38) CYP19A1PTPN1
SCHEMBL11231221 0.81 CYP19A1 (0.48) CYP19A1PTPN1
SCHEMBL11226045 0.81 CYP19A1 (0.40) CYP19A1LMNA
SCHEMBL11230668 0.81 CYP19A1 (0.51) CYP19A1ALDH1A1LMNAKMT2APTPN1
Bromide SCHEMBL11229202 0.81 CYP19A1 (0.47) CYP19A1PTPN1
SCHEMBL11240152 0.80 ALOX12 (0.34) CYP19A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11237227 0.80 TERT (0.39) CYP19A1ALDH1A1
SCHEMBL9529868 0.80 CYP19A1 (0.48) CYP19A1
SCHEMBL11232844 0.79 CYP19A1 (0.31) CYP19A1

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