SCHEMBL28989664

SCHEMBL28989664

CCCCOC(=O)C(C)=Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 3/20 0.45
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ CETP P11597 1/20 0.40
▸ APP P05067 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL28989660 0.92 PLA2G4A (0.40) PLA2G4AKDM4EPPARAAPPCYP3A4
SCHEMBL28989823 0.88 DHODH (0.43) PLA2G4APPARAAPPDHODHALDH1A1
SCHEMBL10501798 0.82 MEN1 (0.50) KDM4ECYP2C9DHODHMAPK1ALDH1A1
SCHEMBL8702266 0.82 KDM4E (0.53) TSHRTDP1L3MBTL1KDM4ECYP3A4
SCHEMBL2532167 0.82 KDM4E (0.53) TSHRTDP1L3MBTL1KDM4ECYP3A4
SCHEMBL27463291 0.80 CYP1A2 (0.46) TDP1KDM4EAPPCYP3A4CYP2C9
SCHEMBL29188761 0.79 DHODH (0.46) APPDHODH
SCHEMBL6005654 0.79 TRPA1 (0.50) TSHRTDP1L3MBTL1KDM4EAPP
SCHEMBL6005652 0.79 TRPA1 (0.50) TSHRTDP1L3MBTL1KDM4EAPP
SCHEMBL5607649 0.78 ESR1 (0.54) TSHRTDP1L3MBTL1KDM4EAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 — — CN disclosed
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