SCHEMBL8884192

SCHEMBL8884192

C=[C]C=CCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.48
TRPV1 Q8NER1 1/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
HMGCR P04035 2/20 0.42
TERT O14746 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL8884189 1.00 FAAH (0.48) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL6245204 1.00 FAAH (0.48) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL8341203 0.98
SCHEMBL14760009 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL14759666 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL10634058 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL10633939 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL14759818 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL14759955 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1
SCHEMBL10634050 0.80 FAAH (0.52) FAAHTRPV1TSHRKMT2AMEN1

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
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 US disclosed
EP-0749426-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed
WO-1995024394-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-09-14 WO disclosed