SCHEMBL9503569

SCHEMBL9503569

C=CC(=O)OCC(O)CNC.CO[N+](=O)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
ALDH1A1 P00352 4/20 0.35
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 4/20 0.34
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.31
KISS1R Q969F8 2/20 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
SCHEMBL8422160 0.89 TSHR (0.55) TSHRALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL5696148 0.88 TSHR (0.53) TSHRALDH1A1ADRB2ADRB1ADRB3
Acrylic Acid Methyl Ester SCHEMBL27859782 0.76 TSHR (0.59) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21341700 0.73 TSHR (0.51) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL95157 0.73 TSHR (0.64) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4076455 0.72 TSHR (0.59) TSHRALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL9139239 0.72 KDM4E (0.52) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8437347 0.72 ADRB2 (0.54) TSHRADRB2ADRB1ADRB3
Acrylic Acid Methyl Ester SCHEMBL27651161 0.71 TSHR (0.53) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL19757343 0.71 TSHR (0.53) TSHRALDH1A1HPGDTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187281-B1 NOVEL CARBOXYLATE POLYMERS AND PROCESSES FOR THEIR PREPARATION AND USE RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1993-06-23 EP claimed
US-4808668-A SEWAGE TREATMENT FLOCCULANT ALLIED-SIGNAL INC. (US) 1989-02-28 US claimed
EP-0187281-A2 Novel carboxylate polymers and processes for their preparation and use RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1986-07-16 EP claimed