SCHEMBL11964313

SCHEMBL11964313

C=C(C)C(=O)OC1c2ccccc2COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HRH1 P35367 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.35
TBXA2R P21731 4/20 0.34

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
SCHEMBL9610481 0.82 ACP3 (0.42) POLB
SCHEMBL9610483 0.82 HDAC4 (0.44) HTR2AHTR2CHRH1POLB
SCHEMBL75403 0.77 HCRTR2 (0.37) ALDH1A1KDM4EPOLB
SCHEMBL9046798 0.76 HTR2A (0.43) HSD17B3ALDH1A1HTR2AHTR2CHRH1
SCHEMBL20306473 0.76 POLB (0.41) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL75199 0.75 CYP2C9 (0.40) ALDH1A1GAATSHRATML3MBTL1
SCHEMBL24262284 0.75 SSTR4 (0.38) ALDH1A1KDM4EGAAMAPK1SMN1; SMN2
SCHEMBL9610482 0.75 ALDH1A1 (0.52) HSD17B3ALDH1A1KDM4EGAAHPGD
SCHEMBL31567542 0.74 POLB (0.55) ALDH1A1GAAHPGDTSHRNOTUM
SCHEMBL2775729 0.74 POLB (0.55) ALDH1A1GAAHPGDTSHRNOTUM

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
US-20120202153-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202153-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-09 US disclosed