SCHEMBL5317324

SCHEMBL5317324

CN(C)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
TSHR P16473 3/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
MYC P01106 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
AKR1C3 P42330 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 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
SCHEMBL5314587 0.84 KDM4E (0.55) ALDH1A1GAATSHRMAPTTP53
SCHEMBL10820293 0.82 ALDH1A1 (0.46) ALDH1A1GAATSHRMAPTSMN1; SMN2
SCHEMBL15240 0.81 ALDH1A1 (0.72) ALDH1A1GAATSHRMAPTTP53
SCHEMBL16835572 0.80 ALDH1A1 (0.53) ALDH1A1GAATSHRMAPTTP53
SCHEMBL2425674 0.80 ALDH1A1 (0.53) ALDH1A1GAATSHRMAPTTP53
SCHEMBL8793059 0.80 TDP1 (0.49) ALDH1A1GAATSHRMAPTTP53
SCHEMBL729589 0.80 ALDH1A1 (0.57) ALDH1A1GAATSHRMAPTTP53
SCHEMBL29579190 0.80 ALDH1A1 (0.53) ALDH1A1GAATSHRMAPTTP53
Phthalic Acid SCHEMBL25407447 0.79 ALDH1A1 (0.69) ALDH1A1GAATSHRMAPTTP53
Hydrochloric Acid SCHEMBL1980339 0.79 ALDH1A1 (0.69) ALDH1A1GAATSHRMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023249968-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIDO[2,3-DJPYRIMIDIN-7(8H)-ONE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
US-20210032472-A1 ACETYLPOLYAMINE DETECTION AGENT DAIKIN INDUSTRIES, LTD. (JP) 2021-02-04 US disclosed
EP-3747955-A1 ACETYLPOLYAMINE DETECTION AGENT DAIKIN INDUSTRIES, LTD. (JP) 2020-12-09 EP disclosed
WO-2019151381-A1 ACETYLPOLYAMINE DETECTION AGENT ダイキン工業株式会社 2019-08-08 WO disclosed
CN-101935013-B Superparamagnetism nano particle with environment polarity sensitivity and preparation method thereof NAT CT NANOSCIENCE NCNST CHINA 2012-12-26 CN disclosed
WO-2007071927-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-06-28 WO disclosed
US-7169759-B1 Tetrapeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-01-30 US disclosed
EP-1192177-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE Elan Pharmaceuticals, Inc. (US) 2002-04-03 EP disclosed
WO-2000077030-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2000-12-21 WO disclosed
US-5964930-A COMPRISING CARBON BLACK, 0.1-20% BY WEIGHT BASED ON THE TOTAL WEIGHT OF THE INK COMPOSITION OF A DISPERSANT CONTAINING POLYETHYLENE OXIDE AND 0.1-5 MMOLS/G OF AN AMINO GROUP, AND A SOLVENT HITACHI MAXELL, LTD. (JP) 1999-10-12 US disclosed