SCHEMBL7197330

SCHEMBL7197330

Cc1c(C(=O)O)ccc(C=O)c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HNF4A P41235 1/20 0.41
PLA2G2A P14555 1/20 0.39
PTGER1 P34995 1/20 0.39
PTPN1 P18031 5/20 0.39
NOTUM Q6P988 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
IDH1 O75874 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
KAT8 Q9H7Z6 1/20 0.37
TSHR P16473 1/20 0.37
FABP4 P15090 1/20 0.37

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
SCHEMBL7204828 0.82 IDH1 (0.47) ALDH1A1HNF4APTGER1PTPN1NOTUM
SCHEMBL12760674 0.76 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1TDP1HPGD
SCHEMBL26502 0.75 HNF4A (0.53) ALDH1A1HNF4APLA2G2APTPN1PTPN2
SCHEMBL8767656 0.74 HNF4A (0.54) ALDH1A1POLBHNF4APTPN1NOTUM
SCHEMBL13777281 0.73 IDH1 (0.45) ALDH1A1POLBTDP1IDH1HPGD
SCHEMBL17599653 0.73 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1TDP1HPGD
SCHEMBL20594317 0.71 GABRP (0.46) ALDH1A1POLBL3MBTL1TDP1PTPN1
SCHEMBL27902935 0.71 HNF4A (0.50) POLBHNF4APTPN1NOTUMPTPN2
SCHEMBL12760714 0.71 GABRP (0.39) ALDH1A1POLBL3MBTL1TDP1HPGD
SCHEMBL17941538 0.71 ALDH1A1 (0.49) ALDH1A1POLBHNF4APTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003078377-A1 OXIDATION OF O-XYLOL TO FORM O-TOLUIC AND OTHER OXIDATION PRODUCTS BY THE CONTROLLED SUPPLY OF AN OXYGEN-CONTAINING GAS BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 WO disclosed
WO-2003078369-A1 OXIDATION OF O-XYLOL TO FORM O-TOLUIC ACID AND OTHER OXIDATION PRODUCTS BY THE STAGGERED SUPPLY OF AN OXYGEN-CONTAINING GAS BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 WO disclosed