SCHEMBL28294576

SCHEMBL28294576

CCC(CC)=C(C#N)C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ELANE P08246 2/20 0.41
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 5/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL28241536 0.87 RAB9A (0.43) RAB9ANPC1HSD17B10CYP1A2CYP3A4
SCHEMBL23931451 0.84 RAB9A (0.41) RAB9ANPC1HSD17B10CYP1A2CYP3A4
SCHEMBL27573023 0.84 RAB9A (0.41) RAB9ANPC1HSD17B10CYP1A2CYP3A4
SCHEMBL1245559 0.83 ELANE (0.44) RAB9ANPC1HSD17B10CYP1A2CYP3A4
SCHEMBL11619756 0.77 ALDH1A1 (0.59) RAB9ANPC1HSD17B10CYP1A2CYP3A4
SCHEMBL27509227 0.77 ZDHHC2 (0.43) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL2882620 0.77 ALDH1A1 (0.48) RAB9ANPC1HSD17B10CYP1A2CYP3A4
SCHEMBL29117671 0.76 ELANE (0.45) RAB9ANPC1HSD17B10CYP1A2HPGD
SCHEMBL14717313 0.76 ELANE (0.45) RAB9ANPC1HSD17B10HPGDELANE
SCHEMBL717725 0.76 PTGS2 (0.48) RAB9ANPC1HSD17B10ALDH1A1LMNA

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
CN-109782553-A Photoresist developer 台湾积体电路制造股份有限公司 2019-05-21 CN disclosed
CN-109782540-A The forming method of photoetching agent pattern 台湾积体电路制造股份有限公司 2019-05-21 CN disclosed