SCHEMBL29220180

SCHEMBL29220180

C=CCCCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.65
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.48
MAPT P10636 3/20 0.44
ABCC4 O15439 1/20 0.44
LPAR3 Q9UBY5 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL28338258 0.98 HCAR2 (0.66) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL28879793 0.96 HCAR2 (0.64) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL29220141 0.94 HCAR2 (0.63) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL9860583 0.94 HCAR2 (0.63) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL29220179 0.92 TSHR (0.58) HCAR2ALDH1A1TSHRCYP3A4ATM
Stearyl Fumaric Acid SCHEMBL6072580 0.90 HCAR2 (0.81) HCAR2ALDH1A1TSHRCYP3A4ATM
Stearyl Fumaric Acid SCHEMBL6072582 0.90 HCAR2 (0.81) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL24168387 0.90 ALDH1A1 (0.61) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL29220198 0.90 ALDH1A1 (0.61) HCAR2ALDH1A1TSHRCYP3A4ATM
SCHEMBL8669779 0.90 ALDH1A1 (0.61) HCAR2ALDH1A1TSHRCYP3A4ATM

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed