SCHEMBL27695035

SCHEMBL27695035

CCCCc1cccc(CCC=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
BID P55957 6/20 0.38
MCL1 Q07820 6/20 0.38
BCL2L1 Q07817 5/20 0.38
BAK1 Q16611 5/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
MMP2 P08253 2/20 0.38
SAE1 Q9UBE0 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ECE1 P42892 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL3345733 0.87 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL30845912 0.87 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL10982682 0.84 LIPG (0.45) BIDMCL1BCL2L1BAK1SAE1
Propionaldehyde SCHEMBL29282081 0.84 CYP3A4 (0.41) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL3693829 0.81 LIPG (0.50) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL28437315 0.80 LIPG (0.53) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL96898 0.79 TSHR (0.50) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL454446 0.79 ESR1 (0.39) TSHRMAPTHSD17B10
SCHEMBL30297613 0.79 ESR1 (0.39) TSHRMAPTHSD17B10
SCHEMBL28323985 0.79 LIPG (0.40) TSHRBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101669887-B Hair processing agent and method for permanent waving hair SHOWA DENKO KK 2012-12-05 CN disclosed
CN-101083975-B Hair treatment agent and hair waving method SHOWA DENKO KK 2010-12-01 CN disclosed
CN-101669887-A Hair processing agent and method for permanent waving hair SHOWA DENKO KK 2010-03-17 CN disclosed
CN-101083975-A Hair treatment agent and hair waving method SHOWA DENKO KK (JP) 2007-12-05 CN disclosed