SCHEMBL13981836

SCHEMBL13981836

CC(C)COc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.52
▸ PDK2 Q15119 1/20 0.46
▸ TRIM24 O15164 1/20 0.46
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CETP P11597 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL8370450 0.87 LMNA (0.56) CCR6TSHRMAPK1HIF1ACETP
SCHEMBL2967940 0.85 TRIM24 (0.55) PDK2TRIM24TSHRMAPK1HIF1A
SCHEMBL8370556 0.82 MAPK1 (0.53) TSHRMAPK1HIF1ACETP
SCHEMBL13676825 0.82 CCR6 (0.47) CCR6PDK2TSHRMAOB
SCHEMBL12251494 0.80 TP53 (0.53) PDK2TSHRMAPK1CHRM2CHRM1
SCHEMBL6049340 0.80 CETP (0.43) CCR6TSHRMAPK1HIF1ACETP
SCHEMBL2608844 0.79 KDM4E (0.54) CCR6MAOB
SCHEMBL3147185 0.79 GPR3 (0.50) CETPCHRM2CHRM1CHRM3
SCHEMBL11746054 0.79 KIF11 (0.39) CCR6TSHRMAPK1HIF1ACETP
SCHEMBL5786398 0.78 MAPK1 (0.64) TRIM24TSHRMAPK1MTNR1AMTNR1B

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
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 — — US disclosed
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