SCHEMBL21551972

SCHEMBL21551972

CCC(=O)c1ccc2c(c1)C(C)(C)c1cc(Sc3ccc([N+](=O)[O-])cc3)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ GSK3B P49841 1/20 0.39
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CES1 P23141 1/20 0.37

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
SCHEMBL21551842 0.85 HPGD (0.44) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL21560519 0.84 CYP3A4 (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL21560724 0.84 RXRA (0.40) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL21551923 0.79 MAPT (0.43) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL21552335 0.75 HPGD (0.43) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL17084366 0.74 ALDH1A1 (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL21551838 0.74 RARB (0.41) HPGDSMN1; SMN2ALDH1A1RARBRARG
SCHEMBL21551829 0.74 CYP26A1 (0.39) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL21560535 0.74 SMN1; SMN2 (0.39) MAPTHPGDSMN1; SMN2ALDH1A1RXRA
SCHEMBL21551940 0.74 MTNR1A (0.42) MAPTHPGDALDH1A1GSK3BRARB

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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