SCHEMBL9002644

SCHEMBL9002644

COC(=O)CCCCCCCCCCNC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.64
▸ TSHR P16473 3/20 0.56
▸ EPHX2 P34913 6/20 0.54
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RECQL P46063 1/20 0.45
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL6014001 1.00 EPHX1 (0.64) EPHX1TSHREPHX2LMNAALDH1A1
SCHEMBL18525833 0.98 EPHX1 (0.61) EPHX1TSHREPHX2LMNAALDH1A1
SCHEMBL21538522 0.91 TSHR (0.61) EPHX1TSHREPHX2LMNAALDH1A1
SCHEMBL14252129 0.87 EPHX1 (0.82) EPHX1ALDH1A1
SCHEMBL7788569 0.87 EPHX1 (0.82) EPHX1ALDH1A1
SCHEMBL7788927 0.87 EPHX1 (0.82) EPHX1ALDH1A1
SCHEMBL7788937 0.87 EPHX1 (0.82) EPHX1ALDH1A1
SCHEMBL717081 0.87 EPHX1 (0.82) EPHX1ALDH1A1
SCHEMBL7252127 0.84 EPHX1 (0.77) EPHX1TSHR
SCHEMBL30959719 0.84 TSHR (0.78) TSHREPHX2LMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498733-A Synthesis of nylon-11 monomer HOWARD UNIVERSITY (US) 1996-03-12 — — US disclosed
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