SCHEMBL16309149

SCHEMBL16309149

Cc1ccc(C)c(Cc2cc3ccc(OCF)cc3s2)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 2/20 0.31
PPARA Q07869 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CA2 P00918 1/20 0.30
FFAR1 O14842 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL144737 0.90 SLC6A4 (0.38) GAATAAR1KMT2A
SCHEMBL148047 0.89 KMT2A (0.43) KMT2APPARACA2
SCHEMBL147392 0.86 CA2 (0.42) GAATAAR1CA2
SCHEMBL147498 0.84 ALDH1A1 (0.34) GAATAAR1KMT2ACA2HDAC3
SCHEMBL146775 0.81 SLC6A4 (0.38) TAAR1MAOAMAOB
SCHEMBL155795 0.79 SLC6A4 (0.38) MAOB
SCHEMBL148149 0.79 KMT2A (0.40) KMT2ACA2
SCHEMBL154947 0.77 KMT2A (0.41) KMT2APPARACA2
SCHEMBL148056 0.75 BACE1 (0.54) GAACA2
SCHEMBL153967 0.73 CA2 (0.40) KMT2ACA2

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
EP-2514756-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2014-12-17 EP disclosed