SCHEMBL9490190

SCHEMBL9490190

COc1cc(C(=O)O)ccc1C(C)c1c(Cl)[nH]c2ccc(CCNC(=O)N(C)C)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.38
NQO2 P16083 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HTT P42858 1/20 0.35
PTPN5 P54829 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL9490127 0.93 MAPT (0.41) MAPTLMNAGAANQO2TLR8
SCHEMBL9489954 0.88 LMNA (0.36) MAPTLMNANQO2NPC1RAB9A
SCHEMBL9488311 0.87 ACACB (0.37) MAPTTLR8TLR7RAB9APOLB
SCHEMBL9490254 0.85 LMNA (0.39) MAPTLMNAALDH1A1
SCHEMBL9488477 0.84 LMNA (0.39) MAPTLMNA
SCHEMBL9488414 0.84 TRPV1 (0.41) MAPTLMNAGAAPOLBALDH1A1
SCHEMBL9488878 0.81 MEN1 (0.37) MAPTLMNANQO2TLR8TLR7
SCHEMBL9491093 0.80 MEN1 (0.39) MAPTTLR8TLR7RAB9AALDH1A1
SCHEMBL9489928 0.78 PLA2G4A (0.33) TLR8TLR7POLBMRGPRX4HTT
SCHEMBL9490136 0.77 TRPV1 (0.41) MAPTLMNAGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed