SCHEMBL5600672

SCHEMBL5600672

CCCCNC(C)/C=C(\C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
FAAH O00519 3/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC3 O15379 3/20 0.33
PLA2G10 O15496 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL246137 1.00 ALOX15 (0.41) ALOX15FAAHMEN1MAPK1KMT2A
Acrylic Acid SCHEMBL6129261 0.92 ALOX15 (0.36) ALOX15FAAHMEN1MAPK1KMT2A
SCHEMBL4407594 0.84 ADRA1A (0.38)
SCHEMBL5499975 0.81
SCHEMBL432889 0.81 ALOX15 (0.40) ALOX15MAPK1EPHX1KDM4EHDAC3
SCHEMBL11132684 0.79 ALOX15 (0.39) ALOX15MAPK1EPHX1HDAC3PLA2G10
SCHEMBL1489813 0.73 HPGD (0.32) KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2349467 0.73 ACHE (0.46) ALOX15FAAHMEN1MAPK1KMT2A
SCHEMBL2349474 0.73 ACHE (0.46) ALOX15FAAHMEN1MAPK1KMT2A
SCHEMBL6688614 0.72 ALDH1A1 (0.42) MAPK1EPHX1SMN1; SMN2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1774368-A1 WATER-BASED INKS FOR HYDROGEL LENSES Novartis AG (CH) 2007-04-18 EP disclosed
WO-2006010612-A1 WATER-BASED INKS FOR HYDROGEL LENSES NOVARTIS AG (CH) 2006-02-02 WO disclosed
EP-1100835-B1 PROCESS FOR PRODUCING POLYMERS BY FREE RADICAL POLYMERIZATION AND CONDENSATION REACTION, AND APPARATUS AND PRODUCTS RELATED THERETO JOHNSON DIVERSEY INC (US) 2004-05-12 EP disclosed