SCHEMBL8557380

SCHEMBL8557380

COc1ccc2cc(Cl)ccc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
AMY1A P0DUB6 3/20 0.41
NCEH1 Q6PIU2 2/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 1/20 0.38
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP2 P50579 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
SCHEMBL3019686 0.81 NCEH1 (0.58) CYP19A1CYP11B1CYP11B2NCEH1POLB
SCHEMBL31553099 0.81 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2NCEH1POLB
SCHEMBL23640316 0.80 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2NCEH1RXFP1
SCHEMBL14279013 0.80 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2NCEH1RXFP1
SCHEMBL9378068 0.79 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2AMY1ANCEH1
SCHEMBL23060791 0.79 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2AMY1ANCEH1
SCHEMBL4670274 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2NCEH1POLB
SCHEMBL26621954 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2NCEH1POLB
SCHEMBL9007497 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2NCEH1POLB
SCHEMBL17086891 0.76 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641304-B1 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES CHEMISCH BIOTECHNOLOGISCHE LAB (DE) 1998-04-08 EP disclosed
EP-0641304-A1 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES CHEMISCH BIOTECHNOLOGISCHE LABORATORIEN GMBH (DE) 1995-03-08 EP disclosed
EP-0641304-A4 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES. KUNICHEM INC (US) 1994-12-13 EP disclosed
US-5248815-A STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES PARADIES HENRICH H (DE) 1993-09-28 US disclosed
WO-1993013046-A1 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES KUNICHEM, INC. (US) 1993-07-08 WO disclosed