SCHEMBL28845778

SCHEMBL28845778

C=C(C)C(=O)OC(C)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ELANE P08246 1/20 0.41
MMP8 P22894 3/20 0.40
RECQL P46063 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.38
TRPA1 O75762 1/20 0.38
KCNH2 Q12809 2/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
CHRM3 P20309 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
SCHEMBL5531274 0.87 CTSK (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL960074 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29023299 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15224723 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9278784 0.77 HIF1A (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9646513 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PPARASLC6A2LMNA
SCHEMBL3180129 0.75 CYP2C19 (0.46) ALDH1A1CYP3A4CYP2C19SMN1; SMN2HIF1A
SCHEMBL7195667 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6546171 0.74 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19SMN1; SMN2ELANE
SCHEMBL10590010 0.74 THRB (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2

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-115068347-A Photocurable composition having excellent depth of cure 株式会社松风 2022-09-20 CN disclosed