SCHEMBL11513670

SCHEMBL11513670

CCCCCCCCc1ccc(C(=O)OCCCCCC)c(C(=O)O)c1CCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PPARA Q07869 3/20 0.46
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 2/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46

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
SCHEMBL5161923 1.00 TSHR (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL27714335 1.00 TSHR (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL3677486 1.00 TSHR (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL150148 1.00 TSHR (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL9139754 0.97 TSHR (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL11153529 0.97 TSHR (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL11338437 0.97 TSHR (0.50) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL15632603 0.92 ALDH1A1 (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL11310948 0.92 TSHR (0.50) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL18489486 0.92 TSHR (0.51) TSHRALDH1A1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4177172-A EMULSIFIERS OF PARTIALLY HYDROLYSED POLYVINYL ACETATE, POLYVINYLPYRROLIDONE, OR VINYL ACETATE/VINYLPYRROLIDONE COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed