SCHEMBL17359343

SCHEMBL17359343

CCCCC[C@@H](CC)CCN

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
OPRM1 P35372 1/20 0.50
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.44
DNM1 Q05193 8/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL13674273 1.00 ALDH1A1 (0.58) ALDH1A1TDP1OPRM1CYP3A4LMNA
SCHEMBL9328559 0.98 ALDH1A1 (0.56) ALDH1A1TDP1OPRM1CYP3A4LMNA
SCHEMBL12640554 0.98 ALDH1A1 (0.56) ALDH1A1TDP1OPRM1CYP3A4LMNA
SCHEMBL12325097 0.98 ALDH1A1 (0.56) ALDH1A1TDP1OPRM1CYP3A4LMNA
SCHEMBL936358 0.92 ALDH1A1 (0.68) ALDH1A1TDP1OPRM1CYP3A4TSHR
SCHEMBL20962107 0.92 ALDH1A1 (0.68) ALDH1A1TDP1OPRM1CYP3A4TSHR
SCHEMBL27531285 0.91 ALDH1A1 (0.56) ALDH1A1TDP1OPRM1CYP3A4LMNA
Hydrochloric Acid SCHEMBL10716228 0.90 ALDH1A1 (0.65) ALDH1A1TDP1OPRM1CYP3A4TSHR
SCHEMBL1261716 0.90 ALDH1A1 (0.50) ALDH1A1TDP1OPRM1CYP3A4LMNA
SCHEMBL23560995 0.88 DNM1 (0.62) ALDH1A1TDP1OPRM1CYP3A4LMNA

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-9408950-B2 Immobilised biological entities W.L. GORE & ASSOCIATES, INC. (US) 2016-08-09 US disclosed
US-20150367040-A1 IMMOBILISED BIOLOGICAL ENTITIES GORE ENTERPRISE HOLDINGS, INC. 2015-12-24 US disclosed