SCHEMBL9244355

SCHEMBL9244355

C=CC(C)CCCCCCC=CCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
TSHR P16473 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1C Q13936 1/20 0.44
PTGS1 P23219 1/20 0.44
PPARG P37231 1/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TERT O14746 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL164090 0.94 FAAH (0.43) FAAHTRPV1TSHRABCG2CACNA2D1
SCHEMBL215743 0.92 FAAH (0.47) FAAHTRPV1TSHRABCG2CACNA2D1
SCHEMBL3687449 0.92 FAAH (0.47) FAAHTRPV1TSHRABCG2CACNA2D1
SCHEMBL7625332 0.90 FAAH (0.43) FAAHTRPV1TSHRABCG2CACNA2D1
SCHEMBL10555437 0.89 TSHR (0.44) TSHRFFAR1LMNA
SCHEMBL1157220 0.89 TSHR (0.44) TSHRFFAR1LMNA
SCHEMBL5613218 0.89 TSHR (0.44) TSHRFFAR1LMNA
SCHEMBL5613583 0.89 TSHR (0.44) TSHRFFAR1LMNA
SCHEMBL5613606 0.89 TSHR (0.44) TSHRFFAR1LMNA
SCHEMBL11901187 0.89 TSHR (0.44) TSHRFFAR1LMNA

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
US-5386074-A Oxidatively dehydrogenating alkanes using an oxidant and a barium peroxide and promoter transition metal compound SUN COMPANY, INC. (R&M) (US) 1995-01-31 US disclosed
US-4010114-A NICKEL-LEAD-PHOSPHORUS-TIN-POTASSIUM-OXYGEN PHILLIPS PETROLEUM COMPANY (US) 1977-03-01 US disclosed