SCHEMBL7782873

SCHEMBL7782873

C=C(C(=O)O)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
PLA2G2A P14555 2/20 0.46
PLA2G10 O15496 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HNF4A P41235 1/20 0.45
FOLH1 Q04609 1/20 0.44
PTPN1 P18031 1/20 0.44
IDH1 O75874 1/20 0.43
KMT2A Q03164 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
CALM1 P0DP23 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL8851080 0.82 PRSS1 (0.47) PRSS1PRSS2PRSS3LMNACA1
SCHEMBL8985081 0.82 LOXL2 (0.56) FOLH1
SCHEMBL1926951 0.81 FOLH1 (0.66) PRSS1PRSS2PRSS3PLA2G2ACA1
SCHEMBL14146996 0.81 PRSS1 (0.61) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL271385 0.80 L3MBTL1 (0.52) CA1CA2CA9KMT2A
SCHEMBL9345509 0.80 MRGPRX4 (0.50) PTPN1KMT2A
SCHEMBL1375356 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL1375355 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL6201817 0.78 PRSS1 (0.58) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL6190226 0.78 LMNA (0.69) PRSS1PRSS2PRSS3PLA2G2APLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5279293-A None JP disclosed
EP-0749973-B1 Novel bisphosphines as catalysts for asymmetric reactions BAYER AG (DE) 2001-11-14 EP disclosed
EP-0643065-B1 Novel bisphosphines for asymetric hydrogenation catalysts BAYER AG (DE) 1999-11-10 EP disclosed
US-5801261-A Bisphosphines as catalysts for asymmetric reactions BAYER AKTIENGESELLSCHAFT (DE) 1998-09-01 US disclosed
US-5710339-A REACTION OF PHOSPHOROUS OXYCHLORIDE WITH 5-BROMO-2-CHLORO ANISOLE AND REACTION WITH GRIGNARD REAGENT, LITHIUM AMIDE AND IODINE FOR DIMERIZATION THEN COMPLEXING BAYER AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0529444-B1 2-Arylpropenic acids and their utilisation in the preparation of 5-ketoprofen BAYER AG (DE) 1997-04-16 EP disclosed
EP-0749973-A1 Novel bisphosphines as catalysts for asymmetric reactions BAYER AG (DE) 1996-12-27 EP disclosed
US-5510503-A Bisphosphines for asymmetric hydrogenation catalysts BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
EP-0643065-A1 Novel bisphosphines for asymetric hydrogenation catalysts BAYER AG (DE) 1995-03-15 EP disclosed
US-5362907-A Intermediates and their use in the preparation of s-ketoprofen BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
JP-H05279293-A INTERMEDIATE AND ITS USE IN PRODUCTION OF S-KETOPROFEN BAYER AG 1993-10-26 JP disclosed
EP-0529444-A2 2-Arylpropenic acids and their utilisation in the preparation of 5-ketoprofen BAYER AG (DE) 1993-03-03 EP disclosed