SCHEMBL7948311

SCHEMBL7948311

COc1c(O)ccc(C(=O)O)c1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.50
ACMSD Q8TDX5 1/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC37A4 O43826 1/20 0.41
PTPN1 P18031 4/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 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
SCHEMBL7279463 0.85 MAPT (0.55) MAPTTDP1LMNAHTTSMN1; SMN2
SCHEMBL29373756 0.83 TSHR (0.55) MAPTTDP1LMNAHTTPTPN1
SCHEMBL3369498 0.82 TDP1 (0.50) MAPTTDP1HTTALDH1A1KLKB1
SCHEMBL15529212 0.81 ESR1 (0.47) HNF4AACMSDMAPTTDP1LMNA
SCHEMBL3245100 0.81 TDP1 (0.49) MAPTTDP1HTTALDH1A1KLKB1
SCHEMBL9244765 0.80 HNF4A (0.59) HNF4AACMSDMAPTLMNAHTT
SCHEMBL25232693 0.80 TDP1 (0.47) MAPTTDP1LMNAHTTTSHR
SCHEMBL8767656 0.80 HNF4A (0.54) HNF4AACMSDMAPTHTTSMN1; SMN2
SCHEMBL3365334 0.80 TDP1 (0.47) MAPTTDP1HTT
SCHEMBL3370741 0.80 TDP1 (0.47) MAPTTDP1HTTALDH1A1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107881188-A A kind of method that whole-cell catalyst prepares aromatic aldehyde and/or aromatic alcohol 上海交通大学 2018-04-06 CN disclosed
US-6261814-B1 MIXING PURIFIED, BIOLOGICALLY-DERIVED REDUCTASE FROM NOCARDIA SPECIES WITH CARBOXYLIC ACID OR DERIVATIVE; PRODUCTION OF VANILLIN FROM VANILLIC ACID UNIVERSITY OF IOWA RESEARCH FOUNDATION 2001-07-17 US disclosed
WO-1998040472-A2 CARBOXYLIC ACID REDUCTASE, AND METHODS OF USING SAME UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-09-17 WO disclosed
US-5795759-A Carboxylic acid reductase, and methods of using same THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-08-18 US disclosed