SCHEMBL8414525

SCHEMBL8414525

CCC(O)COc1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.68
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
PKM P14618 1/20 0.51
ABCB1 P08183 1/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL9741323 0.89 PLA2G4B (0.71) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL22495450 0.86 PLA2G4B (0.60) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL11700194 0.86 MAPT (0.83) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL4197347 0.85 ABCB1 (0.68) MAPTLMNAPOLBNPSR1MAPK1
SCHEMBL29620677 0.85 MAPT (0.57) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL24198673 0.84 PLA2G4B (0.61) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL17908101 0.84 PLA2G4B (0.61) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL17908021 0.84 PLA2G4B (0.61) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL8834964 0.84 PLA2G4B (0.74) PLA2G4BMAPTLMNAPOLBNPSR1
SCHEMBL7696448 0.83 MAPT (0.66) PLA2G4BMAPTMAPK1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643035-B1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE KAO CORP (JP) 1999-09-01 EP claimed
JP-53127433-A None JP disclosed
EP-0643035-B1 DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE KAO CORP (JP) 1999-09-01 EP disclosed
EP-0262809-B1 Pyrimidinylphenyl ester compound TEIKOKU CHEM IND CO LTD (JP) 1994-05-11 EP disclosed
US-4980082-A DISPLAY ELEMENTS; HIGH SPEED RESPONSE TO ELECTRICAL FIELDS SEIKO INSTRUMENTS INC. (JP) 1990-12-25 US disclosed
EP-0262809-A1 Pyrimidinylphenyl ester compound TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1988-04-06 EP disclosed
US-4158011-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1979-06-12 US disclosed
JP-S53127433-A P-(BETA-ALKOXY) ETHOXYBENZOIC ACIDS CHISSO CORP 1978-11-07 JP disclosed