SCHEMBL11529979

SCHEMBL11529979

O=C(O)C(Cc1cccc(CBr)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.46
MDM2 Q00987 1/20 0.44
CYP1A2 P05177 1/20 0.44
SLC7A5 Q01650 2/20 0.43
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
FOLH1 Q04609 2/20 0.42
CPA1 P15085 1/20 0.42
SLC1A1 P43005 2/20 0.41
GRIA2 P42262 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41

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
SCHEMBL1124990 0.84 PLA2G10 (0.47) SLC7A5
SCHEMBL22689794 0.84 SLC7A5 (0.65) SLC7A5GRIA2ALPIPKMPTGS1
SCHEMBL22689792 0.84 SLC7A5 (0.65) SLC7A5GRIA2ALPIPKMPTGS1
SCHEMBL4329928 0.82 LDHA (0.47) LDHAMDM2CYP1A2SLC7A5TSHR
SCHEMBL3471743 0.81 HCAR2 (0.47) LDHAMDM2
SCHEMBL4348571 0.79 TDP1 (0.48) LDHAMDM2CYP1A2SLC7A5FOLH1
SCHEMBL27785183 0.79 HCAR2 (0.46) LDHAMDM2
SCHEMBL491093 0.78 GRIA2 (0.58) LDHAMDM2CYP1A2GRIA2PKM
SCHEMBL7440986 0.77 CTBP2 (0.51) LDHAMDM2ALDH1A1
SCHEMBL9456007 0.77 GRIA2 (0.57) MDM2CYP1A2CPA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175202-A 4,5,6-Trinor-3,7,-inter-m-phenylene prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1979-11-20 US disclosed
US-4084058-A HYPOTENSIVES, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1978-04-11 US disclosed
US-4053485-A OPTICALLY ACTIVE OR RACEMIC MIXTURES THE UPJOHN COMPANY (US) 1977-10-11 US disclosed
US-4032560-A OXA PHENYLENE PROSTAGLANDIN ANALOGS THE UPJOHN COMPANY (US) 1977-06-28 US disclosed
US-4020097-A HYPOTENSIVE, ANTICOAGULANT THE UPJOHN COMPANY (US) 1977-04-26 US disclosed
US-3997566-A Tricyclic prostaglandin THE UPJOHN COMPANY (US) 1976-12-14 US disclosed