SCHEMBL28089324

SCHEMBL28089324

C=CCC(OCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 4/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7760225 0.83 CYP2C19 (0.46) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16189797 0.83 CYP2C19 (0.40) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4991720 0.81 L3MBTL1 (0.41) KMT2AALDH1A1MAPTL3MBTL1FFAR1
SCHEMBL369647 0.81 CYP2C19 (0.47) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL939842 0.80 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8680427 0.80 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL16177582 0.80 CHRNB2 (0.49) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10838992 0.80 CYP2C19 (0.43) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10246555 0.80 CYP2C19 (0.44) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15214943 0.79 CYP2C19 (0.42) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1

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-105873959-A Aqueous primary dispersions, method for producing same, and use thereof 巴斯夫涂料有限公司 2016-08-17 CN disclosed