SCHEMBL21835003

SCHEMBL21835003

CCC(=C(C(=O)O)C(=O)c1ccc(Cl)c(C)c1Cl)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC3 O15438 1/20 0.33
PLIN1 O60240 1/20 0.33
GSTA1 P08263 1/20 0.33
GSTP1 P09211 1/20 0.33
MAPT P10636 1/20 0.33
HSPD1 P10809 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
MAP2K6 P52564 1/20 0.33
HSPE1 P61604 1/20 0.33
GSTO1 P78417 1/20 0.33
PLIN5 Q00G26 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL14845241 0.72 CES2 (0.50) TP53
SCHEMBL23021682 0.71 ALDH1A1 (0.51) ALDH1A1LMNAHTTMEN1MAPT
SCHEMBL9651973 0.70 ALDH1A1 (0.34) ALDH1A1LMNAMEN1MAPTCYP2C9
SCHEMBL1012189 0.70 CES2 (0.52) ALDH1A1MAPTKMT2A
SCHEMBL1012187 0.70 CES2 (0.52) ALDH1A1MAPTKMT2A
SCHEMBL19971377 0.69 PIK3C3 (0.33) LMNAKMT2A
SCHEMBL14698348 0.69 NPC1 (0.35) ALDH1A1HTTTP53MAPTTSHR
SCHEMBL108571 0.69 TSHR (0.52) ALDH1A1LMNATP53MEN1MAPT
SCHEMBL21835001 0.67 MEN1 (0.39) ALDH1A1LMNAMEN1PLIN1MAPT
SCHEMBL9651778 0.66 KMT2A (0.40) ALDH1A1LMNAMAPTCYP2C9TSHR

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
WO-2020065668-A1 CRYSTALLINE FORM OF OZENOXACIN AND PROCESSES FOR PREPARATION THEREOF MAITHRI DRUGS PVT LTD (IN) 2020-04-02 WO disclosed