SCHEMBL9540402

SCHEMBL9540402

Cc1c(OCc2ccccc2)ccc(C(=O)O)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.67
MAPT P10636 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PTGER1 P34995 2/20 0.63
MAPK1 P28482 1/20 0.59
FOLH1 Q04609 1/20 0.56
MCL1 Q07820 2/20 0.54
PTPN1 P18031 1/20 0.54
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
EDNRA P25101 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
CTSV O60911 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
SCHEMBL9341625 0.93 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL24983833 0.91 PTGER1 (0.60) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL30141251 0.91 PTGER1 (0.60) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL5467535 0.88 PTGER1 (0.58) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL6286054 0.88 L3MBTL1 (0.81) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL27550697 0.88 PTGER1 (0.60) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL27703867 0.88 L3MBTL1 (0.63) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL9336507 0.88 MAPT (0.63) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL410077 0.87 PTGER1 (0.76) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL31177876 0.86 MCL1 (0.61) L3MBTL1MAPTTDP1CYP2C9CYP2C19

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-1993002051-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO disclosed
WO-1993002050-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO disclosed