SCHEMBL4287679

SCHEMBL4287679

C=C(C#N)C(=O)O.CC=C(C#N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
EGFR P00533 4/20 0.37
KDM4E B2RXH2 3/20 0.37
CISD1 Q9NZ45 1/20 0.37
SLC16A3 O15427 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
SLC16A1 P53985 1/20 0.37
GPR35 Q9HC97 1/20 0.37
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29045742 0.86 ALDH1A1 (0.40) ALDH1A1TSHR
Propene SCHEMBL28178941 0.86 ALDH1A1 (0.40) ALDH1A1TSHRLMNA
SCHEMBL1959929 0.85
SCHEMBL26755 0.85
SCHEMBL13891834 0.85
SCHEMBL18171699 0.84 EGFR (0.36) ALDH1A1TSHREGFRKDM4ECISD1
Ethane SCHEMBL3278228 0.83
Water SCHEMBL21525772 0.83
SCHEMBL20472689 0.83 ALDH1A1 (0.42) ALDH1A1TSHR
Water SCHEMBL27627574 0.83 ALDH1A1 (0.42) ALDH1A1TSHR

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
EP-0530626-B1 Toughened cyanoacrylate adhesive composition containing polyester polymers NAT STARCH CHEM INVEST (US) 1996-01-31 EP claimed
US-20090218808-A1 IMPROVED DUCT COUPLING SYSTEM KROHN KENNETH P 2009-09-03 US disclosed