SCHEMBL11112282

SCHEMBL11112282

C1=CC(c2ccccc2)COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.40
TSHR P16473 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL11076881 0.83 CYP19A1 (0.49) CYP19A1TSHRLMNAMAPTALDH1A1
SCHEMBL9636409 0.74 NISCH (0.36) CYP19A1NISCHMEN1MAPTKMT2A
SCHEMBL7927222 0.72 HTT (0.39) CYP19A1LMNAMEN1KMT2AALDH1A1
SCHEMBL10601545 0.70 RAB9A (0.33) CYP19A1NISCHLMNAALDH1A1NPC1
SCHEMBL11079859 0.70 ESR2 (0.48) CYP19A1
SCHEMBL11080196 0.70 KDM4E (0.42) MEN1MAPTKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL10603135 0.69 POLB (0.34) CYP19A1LMNAALDH1A1NPC1HPGD
SCHEMBL30315348 0.68 NFKB1 (0.38) CYP19A1TSHRMEN1MAPTKMT2A
SCHEMBL725410 0.68 NFKB1 (0.38) CYP19A1TSHRMEN1MAPTKMT2A
SCHEMBL17229229 0.68 NFKB1 (0.38) CYP19A1TSHRMEN1MAPTKMT2A

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
US-4436749-A CARDIOVASCULAR DISORDERS PIERRE FABRE S.A. (FR) 1984-03-13 US disclosed