SCHEMBL2244340

SCHEMBL2244340

C=CCC(OC=O)(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
KCNN4 O15554 1/20 0.33
HIF1A Q16665 1/20 0.33
AKT1 P31749 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL2240196 0.86 ALDH1A1 (0.46) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL11775673 0.82 ALDH1A1 (0.57) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL9749783 0.77 ALDH1A1 (0.51) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL11091632 0.75 CES1 (0.53) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL5497977 0.75 CYP3A4 (0.43) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL13260805 0.74 ALDH1A1 (0.47) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL11779225 0.73 ALDH1A1 (0.50) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL11098719 0.73 ALDH1A1 (0.46) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL5325708 0.72 ALDH1A1 (0.67) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL7769347 0.72 ALDH1A1 (1.00) ALDH1A1TSHRHTTKMT2ASMN1; SMN2

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
US-7994250-B2 Vinyl-urethane copolymers with intermediary linkage segments having silicon-oxygen bonds and production methods thereof KONISHI CO., LTD. (JP) 2011-08-09 US disclosed
EP-1837360-A1 VINYL-URETHANE COPOLYMER AND METHOD FOR PRODUCING SAME Konishi Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20070117902-A1 Vinyl-urethane copolymers and production methods thereof KONISHI CO., LTD. (JP) 2007-05-24 US disclosed