SCHEMBL6062136

SCHEMBL6062136

CCCC(C)c1ccc(Oc2ccccc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.40
TSHR P16473 2/20 0.39
MTNR1B P49286 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
FFAR1 O14842 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL19736611 0.80 LTA4H (0.52) TSHRALDH1A1LMNA
SCHEMBL6061209 0.80 HPGD (0.46) CASP1TSHRCA1CA2TP53
SCHEMBL984129 0.78 TSHR (0.49) TSHRCA1CA2TP53LMNA
SCHEMBL29024081 0.76 CA2 (0.54) TSHRCA1CA2TP53ALDH1A1
SCHEMBL9141663 0.76 ALDH1A1 (0.50) TSHRALDH1A1MAPK1
SCHEMBL18745964 0.75 ALDH1A1 (0.49) CASP1TSHRALDH1A1
SCHEMBL9344917 0.74 TSHR (0.52) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1682178 0.74 TTR (0.50) TSHRCA1CA2TP53ALDH1A1
SCHEMBL10885558 0.73 TSHR (0.55) TSHRALDH1A1ALOX15
SCHEMBL27629258 0.72 FFAR1 (0.43) FFAR1

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-7105577-B2 for finishing of undyed and dyed or printed fibre materials; treatment of skin, mucous membrane or hair, hard surfaces, oral care; detergent CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-09-12 US disclosed