SCHEMBL25866805

SCHEMBL25866805

COCc1ccc(/C=C/C(=O)/C=C/c2ccc(COC)o2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
F3 P13726 1/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
POLB P06746 4/20 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
SCHEMBL1190069 0.79 ALDH1A1 (0.60) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT
SCHEMBL1190071 0.79 ALDH1A1 (0.60) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT
SCHEMBL1180535 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT
SCHEMBL1180538 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT
SCHEMBL721921 0.77 ALDH1A1 (0.57) ALDH1A1MAPTPOLBKDM4EHTT
SCHEMBL25866796 0.75 CYP1A2 (0.55) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT
SCHEMBL25530941 0.75 KMT2A (0.44) CYP1A2CYP2D6ALDH1A1MAPTMEN1
SCHEMBL29398865 0.75 ALDH1A1 (0.55) ALDH1A1MAPTPOLBKDM4EHTT
SCHEMBL17537559 0.75 POLB (0.49) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT
SCHEMBL28383522 0.73 POLB (0.48) CYP1A2CYP2D6CYP1B1ALDH1A1MAPT

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-11692058-B2 Synthesis of functional polyurethanes and polyesters from biomass-derived monomers WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-07-04 US disclosed
US-11692058-B2 Synthesis of functional polyurethanes and polyesters from biomass-derived monomers WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-07-04 US disclosed