SCHEMBL29639743

SCHEMBL29639743

O=C(C=Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 9/20 1.00
CYP1A1 P04798 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 3/20 0.71
CYP2D6 P10635 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPT P10636 2/20 0.65
MAOB P27338 2/20 0.65
PLIN1 O60240 1/20 0.65
LMNA P02545 1/20 0.65
BCHE P06276 1/20 0.65
TNFRSF1A P19438 1/20 0.65
ACHE P22303 1/20 0.65
RECQL P46063 1/20 0.65
PLIN5 Q00G26 1/20 0.65
ABHD5 Q8WTS1 1/20 0.65
ABCB1 P08183 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.63
PTPN1 P18031 1/20 0.63

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
SCHEMBL658562 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29805401 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL658561 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL657528 0.91 CYP1B1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL657527 0.91 CYP1B1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL656427 0.90 CYP1B1 (0.81) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL656428 0.90 CYP1B1 (0.81) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12158660 0.89 CYP1B1 (0.79) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10287097 0.88 CYP1B1 (0.78) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10253478 0.87 CYP1B1 (0.77) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6

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-114502659-A Resin composition, resin sheet, cured film, method for producing cured film, semiconductor device, organic EL display device, and display device 东丽株式会社 2022-05-13 CN disclosed