SCHEMBL21551947

SCHEMBL21551947

CCCc1ccc2c(c1)C(C)(C)c1cc(Sc3ccccc3)c(Sc3ccccc3)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.44
▸ HTR2C P28335 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ SLC6A4 P31645 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL21551909 0.78 PDK2 (0.52) PDK2HTR2CHTR6CNR1CNR2
SCHEMBL21560535 0.76 SMN1; SMN2 (0.39) PDK2
SCHEMBL11887136 0.72 PDK2 (0.43) PDK2CNR1CNR2
SCHEMBL21551923 0.71 MAPT (0.43) PDK2
SCHEMBL21551968 0.70 CYP26A1 (0.37) CNR1CNR2MAOAMAOB
SCHEMBL21560521 0.70 MAPT (0.33) —
SCHEMBL18537495 0.70 PDK2 (0.39) PDK2CNR2SLC6A4MAOAMAOB
SCHEMBL21551977 0.69 MAPT (0.38) PDK2
SCHEMBL16022366 0.68 PDK2 (0.46) PDK2CNR1CNR2
SCHEMBL19938060 0.68 SLC6A4 (0.53) HTR2CHTR6CNR2KIF11SLC6A4

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-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 — — WO disclosed
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