SCHEMBL5406627

SCHEMBL5406627

CCC=CCC1OC(=O)CCCC1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 2/20 0.30

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
SCHEMBL29475331 0.78 CYP1A2 (0.40) AKR1C4AKR1C3AKR1C2CA1CA9
SCHEMBL919914 0.78 CYP1A2 (0.40) AKR1C4AKR1C3AKR1C2CA1CA9
SCHEMBL9389681 0.78 CYP1A2 (0.40) AKR1C4AKR1C3AKR1C2CA1CA9
SCHEMBL2939421 0.78 CYP1A2 (0.40) AKR1C4AKR1C3AKR1C2CA1CA9
SCHEMBL9389685 0.78 CYP1A2 (0.40) AKR1C4AKR1C3AKR1C2CA1CA9
SCHEMBL919912 0.78 CYP1A2 (0.40) AKR1C4AKR1C3AKR1C2CA1CA9
SCHEMBL5905609 0.75 CYP1A2 (0.45) CA1CYP1A2
SCHEMBL8348173 0.73 CA1 (0.43) CA1CA9CYP1A2
SCHEMBL30886698 0.70 CYP1A2 (0.50) AKR1C4AKR1C3AKR1C2CNR1CNR2
SCHEMBL31509049 0.70 CYP1A2 (0.50) AKR1C4AKR1C3AKR1C2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115379832-A Agent containing caryophyllene, composition and various uses 学校法人近畿大学 2022-11-22 CN disclosed
US-7276570-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-10-02 US disclosed
US-7265195-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-09-04 US disclosed
US-20050272900-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-12-08 US disclosed
US-20050272909-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-12-08 US disclosed
US-20040220356-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220375-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed