SCHEMBL4592580

SCHEMBL4592580

CCC(CC)(Sc1ccccc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
FDPS P14324 6/20 0.40
PTPN1 P18031 1/20 0.38
CFTR P13569 1/20 0.35
HPGD P15428 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
FFAR1 O14842 1/20 0.34
PTPN5 P54829 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
SCHEMBL4141769 0.76 FDPS (0.45) ALDH1A1TSHRMEN1GAAPKM
SCHEMBL11550826 0.75 FDPS (0.44) ALDH1A1TSHRMEN1GAAPKM
SCHEMBL4120852 0.75 FDPS (0.43) ALDH1A1MEN1PKMKMT2AFDPS
SCHEMBL9845391 0.70 CYP2C19 (0.44) ALDH1A1TSHRMEN1GAAPKM
SCHEMBL8149023 0.70 FDPS (0.39) ALDH1A1TSHRMEN1GAAPKM
SCHEMBL8324373 0.69 FFAR1 (0.41) ALDH1A1TSHRMEN1GAAPKM
Diphenylsulfane SCHEMBL9028896 0.69 HPGD (0.54) ALDH1A1MEN1KMT2AKCNH2CFTR
Diphenylsulfane SCHEMBL28287035 0.68 HPGD (0.52) ALDH1A1TSHRPTPN1CFTRHPGD
SCHEMBL17766185 0.68 FFAR1 (0.39) ALDH1A1TSHRMEN1GAAPKM
SCHEMBL7324259 0.68 ALDH1A1 (0.42) ALDH1A1TSHRMEN1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed
US-5166019-A Light sensitive elements MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed