SCHEMBL30700448

SCHEMBL30700448

C=CCCC(=O)O.C=CCOC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CASP1 P29466 5/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL203679 0.89 ALDH1A1 (0.61) PAMALDH1A1MAPK1L3MBTL1PKM
Phenylacetic Acid SCHEMBL11667819 0.88 PAM (0.59) PAMALDH1A1MAPK1L3MBTL1PKM
Hydrochloric Acid SCHEMBL25259767 0.88 ALDH1A1 (0.59) PAMALDH1A1MAPK1L3MBTL1PKM
SCHEMBL17386357 0.81 CYP3A4 (0.50) PAMALDH1A1MAPK1L3MBTL1PKM
SCHEMBL11498230 0.78 L3MBTL1 (0.48) PAMALDH1A1MAPK1L3MBTL1PKM
SCHEMBL11648427 0.78 SRD5A2 (0.51) PAMALDH1A1MAPK1L3MBTL1PKM
SCHEMBL1081620 0.77 PRKCA (0.56) ALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL10646865 0.77 PKM (0.49) PAMALDH1A1MAPK1L3MBTL1PKM
SCHEMBL27609022 0.77 CYP3A4 (0.49) PAMALDH1A1MAPK1L3MBTL1PKM
SCHEMBL250955 0.76 TDP1 (0.68) ALDH1A1PKMSMN1; SMN2CASP1CYP3A4

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-110214273-B Screening method using olfactory receptor and novel compounds identified using the same 马斯公司 2023-12-15 CN disclosed