SCHEMBL7561802

SCHEMBL7561802

C=CCOC(=O)C(=C)c1c2ccccc2cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CASP1 P29466 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL28662473 0.83 CYP3A4 (0.57) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6837940 0.82 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL9696983 0.79 CYP3A4 (0.53) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11601177 0.78 AKR1B1 (0.44) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4076263 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL22068920 0.75 CYP3A4 (0.46) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4610438 0.74 CYP3A4 (0.53) CYP3A4ALDH1A1MEN1KMT2AKDM4E
Anthracene SCHEMBL16634486 0.73 CYP3A4 (0.45) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL24450535 0.73 KMT2A (0.55) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5957199 0.72 ALDH1A1 (0.64) CYP3A4ALDH1A1MEN1KMT2AKDM4E

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-20020132183-A1 Organic anti-reflective coating material and its preparation HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-09-19 US disclosed
US-6368768-B1 ACRYLATE ESTER COPOLYMER HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-04-09 US disclosed