SCHEMBL6576332

SCHEMBL6576332

C=C(CCNCC)OC(=C)CCNCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.33
SAT1 P21673 2/20 0.31
KDM1A O60341 5/20 0.31

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
SCHEMBL4945799 0.79 TSHR (0.44) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL10079023 0.74
SCHEMBL4907690 0.74
SCHEMBL10877108 0.73
SCHEMBL20159792 0.72
Hydrochloric Acid SCHEMBL22771553 0.72
SCHEMBL14045314 0.71 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL76816 0.69 ALDH1A1 (0.43) TSHR
SCHEMBL5839565 0.67 CYP2C19 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL636745 0.67 ALOX15 (0.35) CYP2C19MEN1GLAKMT2ACYP1A2

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
EP-0728822-B1 Aqueous paint composition ROHM & HAAS (US) 2004-04-28 EP disclosed
EP-0798350-B1 Paint composition ROHM & HAAS (US) 1999-09-29 EP disclosed
US-5705560-A PAINTS, ANIONIC POLYMER ROHM AND HAAS COMPANY (US) 1998-01-06 US disclosed
EP-0798350-A1 Paint composition ROHM AND HAAS COMPANY (US) 1997-10-01 EP disclosed
EP-0728822-A2 Aqueous paint composition ROHM AND HAAS COMPANY (US) 1996-08-28 EP disclosed
US-3948960-A ADDITION, HYDROGEN PEROXIDE, INTRAPHASE PONY INDUSTRIES, INC., A CORP. OF DE 1976-04-06 US disclosed