SCHEMBL10747697

SCHEMBL10747697

CC(Cc1ccc2cc(C(=O)O)ccc2c1)OO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TBXAS1 P24557 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL10751305 0.87 SLC7A5 (0.47) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9171681 0.87 HTR2A (0.48) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9126436 0.84 GRIN2D (0.61) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9128075 0.82 GRIN2D (0.53) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9170094 0.81 HTR2A (0.47) KDM4EKMT2AMEN1AKR1C3AKR1C2
SCHEMBL9127842 0.80 GRIN2D (0.51) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9174490 0.80 HTR2A (0.43) GRIN2DGRIN2AGRIN2BGRIN2CAKR1C3
SCHEMBL13900840 0.80 GRIN2D (0.56) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL9015725 0.80 HTR2A (0.61)
SCHEMBL9129709 0.79 GRIN2D (0.50) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60243063-A None JP disclosed
JP-61257942-A None JP disclosed
JP-61215353-A None JP disclosed
US-4638087-A OXIDATION TO ALCOHOL OR PEROXIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-01-20 US disclosed
JP-S61257942-A PRODUCTION OF 6-HYDROXY-2-NAPHTHOIC ACID KUREHA CHEM IND CO LTD 1986-11-15 JP disclosed
JP-S61215353-A 2-SUBSTITUTED-NAPHTHALENE-6-CARBOXYLIC ACID AND PRODUCTION THEREOF KUREHA CHEM IND CO LTD 1986-09-25 JP disclosed
JP-S60243063-A METHYL 2-(2-HYDROPEROXY-2-PROPYL)NAPHTHALENE-6-CARBOXYLATE AND PREPARATION THEREOF KUREHA CHEM IND CO LTD 1985-12-03 JP disclosed