SCHEMBL16447706

SCHEMBL16447706

O=C(O)CC1=CC(CC(=O)O)c2cccc3cccc1c23

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
AKR1B1 P15121 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL11779426 0.85 AKR1B1 (0.39) HSD17B10MEN1KMT2AKDM4EMAPT
SCHEMBL27560206 0.79 CYP1A2 (0.43) HSD17B10MEN1KMT2AKDM4ECYP1A2
SCHEMBL7932366 0.70 HTR6 (0.41) MEN1KMT2ACYP1A2MAPTALDH1A1
SCHEMBL2530115 0.67 AKR1B1 (0.41) CYP1A2MAPTALDH1A1AKR1B1ALOX15
SCHEMBL16863658 0.66 AKR1B1 (0.39) CYP1A2MAPTAKR1B1TSHRPOLB
SCHEMBL1133136 0.66 GABRA1 (0.34) HSD17B10ALDH1A1TSHR
SCHEMBL10802567 0.66 GAA (0.42) HSD17B10MEN1KMT2AKDM4ECYP1A2
SCHEMBL42370 0.63 EGFR (0.51) HSD17B10KMT2ACYP1A2MAPTAKR1B1
SCHEMBL18435470 0.63 MAPT (0.34) CYP1A2MAPTAKR1B1TSHR
SCHEMBL9287844 0.63 EGFR (0.35) HSD17B10MEN1KMT2AKDM4ECYP1A2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045493-A1 Radiation-Curable Coating Compositions BASF SE (DE) 2015-02-12 US claimed
CN-104151363-A Three-dimensional coordination polymer with cluster structure and preparation method of three-dimensional coordination polymer CHEN XIUQIONG 2014-11-19 CN claimed
CN-101827880-B Precursor for heat-resistant resin and photosensitive resin composition containing the same ASAHI KASEI E MATERIALS CORP 2013-08-21 CN claimed
CN-105377947-A Method for producing polyamide resin MITSUBISHI GAS CHEMICAL CO 2016-03-02 CN disclosed
CN-105073832-A Method for producing polyamide resin MITSUBISHI GAS CHEMICAL CO 2015-11-18 CN disclosed
CN-103619956-B Injection molded article MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2015-10-07 CN disclosed
CN-103261327-B Polyamide composition MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2015-09-09 CN disclosed
CN-102985464-B Polyamide compound MITSUBISHI GAS CHEMICAL CO 2015-04-01 CN disclosed
CN-102918081-B Polyamide compound MITSUBISHI GAS CHEMICAL CO 2015-03-18 CN disclosed
US-20150045493-A1 Radiation-Curable Coating Compositions BASF SE (DE) 2015-02-12 US disclosed
CN-104151363-A Three-dimensional coordination polymer with cluster structure and preparation method of three-dimensional coordination polymer CHEN XIUQIONG 2014-11-19 CN disclosed
CN-102762636-A Polyamide compound MITSUBISHI GAS CHEMICAL CO 2012-10-31 CN disclosed
CN-102702510-A Alcohol-soluble nylon and preparation method thereof SHANGHAI ZHENWEI COMPOUND MATERIALS CO LTD 2012-10-03 CN disclosed
CN-102575003-A Polyamide composition RHODIA OPERATIONS 2012-07-11 CN disclosed
CN-102498153-A Composite polyamide article RHODIA OPERATIONS S A S 2012-06-13 CN disclosed
CN-102471486-A Modified polyamide, method for preparing same and article obtained from said polyamide RHODIA OPERATIONS 2012-05-23 CN disclosed
CN-102325824-A Fluorinated dicarboxylic acid derivative and polymer compound using same CENTRAL GLASS CO LTD 2012-01-18 CN disclosed
CN-102076740-A Heat-resistant resin precursor and photosensitive resin composition using same ASAHI KASEI E MATERIALS CORP 2011-05-25 CN disclosed
CN-101827880-A Precursor for heat-resistant resin and photosensitive resin composition containing the same ASAHI KASEI E MATERIALS CORP 2010-09-08 CN disclosed
CN-1087086-A Thiazolylvinylphenyl derivatives HOFFMANN LA ROCHE (CH) 1994-05-25 CN disclosed