SCHEMBL6853792

SCHEMBL6853792

C[C@H](N)C1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 2/20 0.36

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
SCHEMBL22606844 1.00 EPHX1 (0.43) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL14099623 1.00 EPHX1 (0.43) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL1020955 1.00 EPHX1 (0.43) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL3052722 1.00 EPHX1 (0.43) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL56860 1.00
SCHEMBL55861 1.00
SCHEMBL79026 1.00
SCHEMBL22191947 1.00 EPHX1 (0.43) EPHX1SHBGTP53KDM4EGMNN
Hydrochloric Acid SCHEMBL5909015 0.97 KDM4E (0.42) EPHX1SHBGTP53KDM4EGMNN
Hydrochloric Acid SCHEMBL3824601 0.97 KDM4E (0.42) EPHX1SHBGTP53KDM4EGMNN

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-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US claimed
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed