SCHEMBL7434255

SCHEMBL7434255

CC(=O)[C@H](C(=O)O)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX1 P07099 1/20 0.46
MDM2 Q00987 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CPA1 P15085 5/20 0.43
CPA3 P15088 2/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
PDPK1 O15530 1/20 0.43
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL11130925 0.82 MTNR1A (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5880392 0.82 HKDC1 (0.47) MTNR1AMTNR1BPDPK1MEN1POLB
SCHEMBL28305706 0.78 CNR2 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2835490 0.77 CYP1A2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL262279 0.77 CYP1A2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5292778 0.75 SLC1A3 (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8761504 0.74 EPHX1 (0.52) CYP1A2EPHX1MDM2CYP2C19CYP2D6
SCHEMBL5272849 0.74 EPHX1 (0.67) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7283137 0.74 CYP2D6 (0.45) PTGS1PDPK1KDM4EMAPTRECQL
SCHEMBL9833991 0.74 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5

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-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed