SCHEMBL10833252

SCHEMBL10833252

CC(C)=CC(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
CYP2C9 P11712 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TSHR P16473 2/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.58
ABCC3 O15438 1/20 0.58
PLIN1 O60240 1/20 0.58
TP53 P04637 1/20 0.58
GSTA1 P08263 1/20 0.58
GSTP1 P09211 1/20 0.58
HSPD1 P10809 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
MAP2K6 P52564 1/20 0.58
HSPE1 P61604 1/20 0.58
GSTO1 P78417 1/20 0.58
PLIN5 Q00G26 1/20 0.58

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
SCHEMBL9717604 0.84 CYP2C9 (0.62) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL10834699 0.83 CYP2C9 (0.65) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL10833983 0.83 MAPT (0.58) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL10833979 0.83 MAPT (0.58) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL11604597 0.81 CYP2C9 (0.67) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL11604600 0.81 CYP2C9 (0.67) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL10834061 0.81 MAPT (0.59) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL10834067 0.81 MAPT (0.59) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL11456708 0.80 CYP2C9 (0.64) MAPTCYP2C9ALDH1A1NPSR1TSHR
SCHEMBL10833376 0.78 GSTP1 (0.75) MAPTCYP2C9ALDH1A1NPSR1TSHR

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-10485550-B2 Ophthalmic drug delivery device and methods of use DUKE UNIVERSITY (US) 2019-11-26 US disclosed
US-20150057689-A1 OPHTHALMIC DRUG DELIVERY DEVICE AND METHODS OF USE DUKE UNIVERSITY (US) 2015-02-26 US disclosed
US-4625047-A BRAIN OR SPINAL CORD TRAUMA TREATMENT MERCK & CO., INC. (US) 1986-11-25 US disclosed