SCHEMBL7031188

SCHEMBL7031188

CCOC(=O)Cc1cc(C(C)C#N)ccc1Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL8163677 0.86 AGBL2 (0.56) AGBL2L3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL7037491 0.76 AGBL2 (0.46) AGBL2L3MBTL1KMT2AHPGD
SCHEMBL11394789 0.75 AGBL2 (0.52) AGBL2L3MBTL1MAPTHPGD
SCHEMBL9630038 0.74 AGBL2 (0.46) AGBL2L3MBTL1MEN1KMT2A
SCHEMBL11481602 0.74 CYP2C9 (0.50) AGBL2SMN1; SMN2LMNATDP1HPGD
SCHEMBL11478885 0.73 CYP2C9 (0.59) AGBL2SMN1; SMN2LMNATDP1HPGD
SCHEMBL27405423 0.73 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL11403527 0.72 AGBL2 (0.54) AGBL2MAPTMEN1KMT2AKDM4E
SCHEMBL28375579 0.72 AGBL2 (0.56) AGBL2L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL11402193 0.72 AGBL2 (0.76) AGBL2MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922704-B1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO (JP) 2003-03-05 — — EP disclosed
US-6111115-A Preparation of 2-(10,11-dihydro-10-oxodibenzo-[b,f]thiepin-2-yl) propionic acid NIPPON CHEMIPHAR CO., LTD. (JP) 2000-08-29 — — US disclosed
EP-0922704-A1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO., LTD. (JP) 1999-06-16 — — EP disclosed
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