SCHEMBL9856879

SCHEMBL9856879

NC(=O)CC(O)C(Cl)(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.52
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9574851 1.00 CYP2C19 (0.52) CYP2C19LMNACYP1A2CYP3A4CYP2C9
SCHEMBL4899114 0.76 CYP2C19 (0.54) CYP2C19LMNAALDH1A1TP53TDP1
SCHEMBL15415836 0.74 CETP (0.48) CYP2C19LMNACYP1A2CYP3A4CYP2C9
SCHEMBL2467277 0.74 TSHR (0.43) CYP2C19LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3224348 0.74 CYP2C19 (0.58) CYP2C19LMNACYP1A2CYP3A4CYP2C9
SCHEMBL11881390 0.73 CYP1A2 (0.40) CYP2C19LMNACYP1A2KDM4EALOX15
SCHEMBL31529663 0.72 CYP2C19 (0.40) CYP2C19ALDH1A1TDP1
SCHEMBL3378767 0.72 PGD (0.34) CYP2C19LMNAKDM4E
SCHEMBL11868743 0.70 CYP2C19 (0.65) CYP2C19LMNAALDH1A1TDP1
SCHEMBL9574812 0.70 GABRR1 (0.31) CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4144722-A1 COMPOUND AS UBR BOX DOMAIN LIGAND Autotac Inc. (KR) 2023-03-08 EP disclosed
US-4997965-A Chromatography CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed