SCHEMBL29080240

SCHEMBL29080240

C=CCC.c1ccc2c(c1)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
ALOX5 P09917 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
P2RX4 Q99571 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX1 P51575 1/20 0.33

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
Propene SCHEMBL28283836 0.81 AHR (0.42) AHRMAOAMAOBALOX5TSHR
SCHEMBL27588437 0.80 TSHR (0.45) AHRMAOAMAOBALOX5TSHR
Propene SCHEMBL5137493 0.79 AHR (0.41) AHRMAOAMAOBALOX5P2RX4
Butadiene SCHEMBL26132931 0.78 AHR (0.44) AHRMAOAMAOBALOX5TSHR
Butane SCHEMBL28796046 0.78 AHR (0.44) AHRMAOAMAOBALOX5TSHR
Naphthalene SCHEMBL27504955 0.76 CYP2A6 (0.47) TSHRALDH1A1MAPK1MEN1KMT2A
Alcohol SCHEMBL15392385 0.76 MAOA (0.44) AHRMAOAMAOBALOX5TSHR
Allylbenzene SCHEMBL11740558 0.75 MAOB (0.46) AHRMAOBTSHRALDH1A1MEN1
Ethylene SCHEMBL28076033 0.74
Ethane SCHEMBL28106088 0.74

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-112940231-B Polyester, resin composition, melt-blown fiber, composite sheet, filter screen and sound insulation material 长春人造树脂厂股份有限公司 2023-08-18 CN disclosed