SCHEMBL21551940

SCHEMBL21551940

CCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(Sc3ccc(OC)cc3)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ HDAC3 O15379 4/20 0.42
▸ HDAC4 P56524 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC7 Q8WUI4 4/20 0.42
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC10 Q969S8 4/20 0.42
▸ HDAC11 Q96DB2 4/20 0.42
▸ HDAC8 Q9BY41 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ HDAC9 Q9UKV0 4/20 0.42
▸ HDAC5 Q9UQL6 4/20 0.42
▸ RXRA P19793 2/20 0.40
▸ RARB P10826 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ STS P08842 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL21553858 0.81 HTT (0.39) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL21560533 0.81 HTT (0.39) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL21551838 0.81 RARB (0.41) RXRARARBRARGRXRBRXRG
SCHEMBL21551928 0.79 SMN1; SMN2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21552089 0.77 PKM (0.39) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL21551842 0.77 HPGD (0.44) RXRARARBRARGRXRBRXRG
SCHEMBL21560724 0.76 RXRA (0.40) RXRARARBRARGRXRBRXRG
SCHEMBL21552264 0.75 CASP3 (0.39) MAPTPTGIRALDH1A1HPGDCYP26A1
SCHEMBL23805923 0.74 HTR7 (0.46) STSMAPTALDH1A1HPGDNPC1
SCHEMBL21551963 0.74 HSD17B3 (0.42) STSMAPTALDH1A1HPGDNPC1

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