SCHEMBL4490677

SCHEMBL4490677

CCCCCCCCCCCC(C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
CYP1A2 P05177 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 1/20 0.39
EPHX1 P07099 4/20 0.39
EPHX2 P34913 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
SCHEMBL9213061 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL31122641 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL2722037 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL11677493 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL11085237 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL3421946 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL9214846 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL4723686 1.00 SHBG (0.41) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL9206536 0.98 OPRM1 (0.39) SHBGCYP1A2SIGMAR1
SCHEMBL9202942 0.98 OPRM1 (0.39) SHBGCYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867616-B Production method of laurolactam 万华化学集团股份有限公司 2020-11-24 CN claimed
US-4040956-A SEWAGE DISPOSAL USING RECIRCULATABLE CYCLOHEXYL-C12 TO C14 ALKANES GULF RESEARCH & DEVELOPMENT COMPANY (US) 1977-08-09 US claimed
CN-109867616-B Production method of laurolactam 万华化学集团股份有限公司 2020-11-24 CN disclosed
CN-102317420-A Composition and method for forming coating film FUJIFILM CORP 2012-01-11 CN disclosed
EP-2028254-A2 Grease composition, viscous agent, and mechanical element FUJIFILM Corporation (JP) 2009-02-25 EP disclosed
US-4040956-A SEWAGE DISPOSAL USING RECIRCULATABLE CYCLOHEXYL-C12 TO C14 ALKANES GULF RESEARCH & DEVELOPMENT COMPANY (US) 1977-08-09 US disclosed