SCHEMBL7153591

SCHEMBL7153591

O[C@@H](CC[C@H](O)COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.76
CA2 P00918 3/20 0.72
CA7 P43166 3/20 0.72
CA9 Q16790 3/20 0.72
MAPK1 P28482 1/20 0.57
TSHR P16473 2/20 0.56
POLB P06746 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
AGER Q15109 1/20 0.51
TACR1 P25103 2/20 0.50
CASR P41180 1/20 0.49
CA4 P22748 1/20 0.49

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
SCHEMBL397022 0.91 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL28663346 0.91 CA1 (0.65) CA1CA2CA7CA9MAPK1
SCHEMBL9188557 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL9187202 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL27325018 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL9187215 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL5235634 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL20432563 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL21780446 0.90 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL8192726 0.89 CA1 (0.64) CA1CA2CA7CA9MAPK1

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
US-6632953-B1 Metal complex comprising a phospholane as claimed in any of claim 1 and a central atom selected from the group of Rh, Ru, Ir, Pd, Pt, Ni. asymmetric hydrogenation of compounds by reacting the starting compounds to be hydrogenated with BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
EP-0992481-B1 Process for the asymmetric hydrogenation of beta-ketoesters BASF AG (DE) 2003-05-21 EP disclosed
EP-1082328-B1 PRODUCTION OF OPTICALLY ACTIVE PHOSPHOLANES BASF AG (DE) 2002-11-20 EP disclosed
US-6359165-B1 CATALYTIC HYDROGENATION OF CORRESPONDING KETOESTER USING RUTHENIUM COMPLEX BASF AKTIENEGESELLSCHAFT (DE) 2002-03-19 US disclosed
EP-0992481-A1 Process for the asymmetric hydrogenation of beta-ketoesters BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed