SCHEMBL3515157

SCHEMBL3515157

CCCCOCC(C)/C(C(=O)O)=C(\C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2C Q5R387 4/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CES2 O00748 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 1/20 0.31
THRA P10827 1/20 0.31
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
SCHEMBL3515163 1.00 KDM4E (0.36) KDM4EUSP2ALDH1A1ALOX15SMN1; SMN2
SCHEMBL446836 0.75 ACE2 (0.46) KDM4EUSP2ALDH1A1ALOX15PLA2G2C
SCHEMBL3516780 0.75
SCHEMBL16299711 0.75 ACE2 (0.46) KDM4EUSP2ALDH1A1ALOX15PLA2G2C
SCHEMBL3515161 0.74 CA2 (0.33) ALDH1A1TSHRTHRATHRB
SCHEMBL3518740 0.70 RNPEP (0.34) ALDH1A1
SCHEMBL3518747 0.70 RNPEP (0.34) ALDH1A1
SCHEMBL11844397 0.70 USP2 (0.48) USP2PLA2G2CSPHK1CYP1A2CYP3A4
SCHEMBL445182 0.70 ALDH1A1 (0.48) USP2ALDH1A1SMN1; SMN2PLA2G2CSPHK1
SCHEMBL16299717 0.68 HSD17B10 (0.49) USP2ALDH1A1PLA2G2CSPHK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed