SCHEMBL21551928

SCHEMBL21551928

CCCCC(=O)c1ccc2c(c1)C(C)(C)c1cc(Sc3ccc4ccccc4c3)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HDAC1 Q13547 6/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC3 O15379 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HSD17B3 P37058 1/20 0.38
▸ STS P08842 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 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
SCHEMBL21551838 0.91 RARB (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B3STS
SCHEMBL21551842 0.79 HPGD (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL21551940 0.79 MTNR1A (0.42) NPC1RAB9AALDH1A1HPGDHDAC1
SCHEMBL4931148 0.78 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL30161792 0.78 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL21560694 0.76 CES2 (0.32) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL21551942 0.76 HSD17B3 (0.45) RAB9AALDH1A1HDAC1HDAC8HSD17B3
SCHEMBL21560541 0.76 KDM4E (0.35) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL21551988 0.76 KDM4E (0.35) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL21552136 0.74 ALDH1A1 (0.36) ALDH1A1HPGD

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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