SCHEMBL29623844

SCHEMBL29623844

C=CCCCC(C(=O)OCC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
MMP8 P22894 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
MDM4 O15151 1/20 0.42
LMNA P02545 1/20 0.42
MDM2 Q00987 1/20 0.42
AMPD2 Q01433 1/20 0.41
PIN1 Q13526 1/20 0.41
OPRD1 P41143 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL4206097 0.83 MMP8 (0.50) MMP8GAATDP1SMN1; SMN2AMPD2
SCHEMBL11343521 0.83 CYP2C19 (0.46) CYP2C19SMN1; SMN2MAPTLMNAMEN1
SCHEMBL23688603 0.82 CYP2C19 (0.65) CYP2C19MMP8GAASMN1; SMN2MAPT
SCHEMBL8669701 0.82 CYP2C19 (0.65) CYP2C19MMP8GAASMN1; SMN2MAPT
SCHEMBL23688606 0.82 CYP2C19 (0.65) CYP2C19MMP8GAASMN1; SMN2MAPT
SCHEMBL9000765 0.82 MMP8 (0.49) MMP8GAATDP1SMN1; SMN2LMNA
SCHEMBL8818975 0.81 MMP8 (0.48) MMP8GAATDP1SMN1; SMN2LMNA
SCHEMBL27608413 0.81 MMP8 (0.48) MMP8GAATDP1SMN1; SMN2AMPD2
SCHEMBL4886826 0.81 MMP8 (0.48) MMP8GAATDP1SMN1; SMN2LMNA
SCHEMBL27587299 0.81 MMP8 (0.48) MMP8GAATDP1SMN1; SMN2MAPT

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-113583020-B JAK2 inhibitor and application 百极弘烨(广东)医药科技有限公司 2022-04-22 CN disclosed