SCHEMBL7440239

SCHEMBL7440239

CCCCS(=O)(=O)c1ccc2c(c1)OCC(C=O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
HTR6 P50406 1/20 0.34
CHRM2 P08172 1/20 0.34
PKM P14618 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7440246 0.81 HPGD (0.44) PNMTPOLBALDH1A1MEN1KMT2A
SCHEMBL7435505 0.76 PNMT (0.36) PNMTHTR6CHRM2POLBALDH1A1
SCHEMBL7446269 0.75 HPGD (0.32) HPGD
SCHEMBL7437340 0.71 CA2 (0.42) KMT2ACA2
SCHEMBL7435716 0.69 PNMT (0.33) PNMTCHRM2POLBALDH1A1KDM4E
SCHEMBL7436261 0.69 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL7443159 0.68 CA2 (0.48) HTTCA2
SCHEMBL2487394 0.68 CA2 (0.48) HTTCA2
SCHEMBL7445863 0.68 MTNR1A (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1299584 0.66 NISCH (0.44) POLBALDH1A1HTTSMN1; SMN2HSD17B10

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed