SCHEMBL6718103

SCHEMBL6718103

CCCCCCCCCCC(CCCCCCCC)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 5/20 0.43
OPRM1 P35372 1/20 0.42
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
GPR84 Q9NQS5 2/20 0.39
FDPS P14324 1/20 0.39

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
SCHEMBL17199729 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL20219104 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL20835164 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL22401146 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL23437458 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL20882132 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL23437576 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL22401186 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL23437461 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL22096531 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1

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
EP-0542199-B1 Biocidal decylnonyl- and decylisononyl dimethylammonium compounds LONZA AG (US) 1996-01-17 EP claimed
EP-1393629-A1 Aqueous disinfecting compositions based on quaternary ammonium monomers Tevan B.V. (NL) 2004-03-03 EP disclosed