SCHEMBL11550826

SCHEMBL11550826

CCC(CC)(SCc1ccccc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PRMT1 Q99873 1/20 0.43
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CETP P11597 4/20 0.37
GGPS1 O95749 2/20 0.36

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
SCHEMBL4592580 0.75 ALDH1A1 (0.41) FDPSTSHRKMT2AMEN1ALDH1A1
SCHEMBL10630052 0.72 CYP2C19 (0.43) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL3889472 0.71 FDPS (0.36) FDPSGGPS1
SCHEMBL9069763 0.70 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2
SCHEMBL12879664 0.70 CYP2D6 (0.68) CYP1A2CYP3A4CYP2D6PRMT1ALDH1A1
SCHEMBL7263779 0.69 FDPS (0.58) FDPSCYP1A2SMN1; SMN2TSHRCETP
SCHEMBL7605699 0.68 FDPS (0.61) FDPSCYP1A2SMN1; SMN2TSHRKMT2A
SCHEMBL9231165 0.68 ACHE (0.42) FDPSALPLALPIALPGHTT
SCHEMBL9000117 0.68 FDPS (0.31) FDPS
SCHEMBL6681928 0.67 ALPL (0.47) FDPSALPLALPIALPGHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169849-A 11-DESOXY-15-THIAPROSTAGLANDINS PFIZER INC. (US) 1979-10-02 US disclosed
US-4148804-A ANTIULCER AGENTS, SELECTIVITY PFIZER INC. (US) 1979-04-10 US disclosed
US-4092349-A ANTIULCER AGENTS PFIZER INC. (US) 1978-05-30 US disclosed