SCHEMBL28110002

SCHEMBL28110002

CCCCCCCCc1ccccc1C(=O)ON

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
LIPG Q9Y5X9 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARA Q07869 3/20 0.47
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
PPARG P37231 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL28089169 1.00 TSHR (0.51) TSHRALDH1A1LMNALIPGTHRA
Nitrous Acid SCHEMBL28106980 0.94 TSHR (0.47) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL15512619 0.94 TSHR (0.49) TSHRALDH1A1LMNALIPGTHRA
Piperidine SCHEMBL7713421 0.88 ALDH1A1 (0.42) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6466153 0.87 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6468288 0.87 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6465819 0.87 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6464030 0.87 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL28558946 0.87 ALDH1A1 (0.50) TSHRALDH1A1LMNAKDM4EPOLB
SCHEMBL567395 0.86 THRA (0.54) TSHRALDH1A1LMNALIPGTHRA

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
CN-106245350-A A kind of high elasticity abrasion-proof ball leather 扬州市德运塑业科技股份有限公司 2016-12-21 CN claimed
CN-106245350-A A kind of high elasticity abrasion-proof ball leather 扬州市德运塑业科技股份有限公司 2016-12-21 CN disclosed