SCHEMBL24944922

SCHEMBL24944922

COc1cc(CC(=O)OC2(c3ccccc3)CCNCC2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 1/20 0.48
APP P05067 5/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
CISD1 Q9NZ45 1/20 0.43

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
SCHEMBL26479363 0.88 MEN1 (0.48) NPC1RAB9AMEN1KMT2APKM
SCHEMBL26413795 0.86 OPRM1 (0.44) MEN1KMT2AHPGDCYP1A2CYP2C19
SCHEMBL24943732 0.86 GAA (0.51) RAB9AMEN1KMT2AHPGDCYP1A2
SCHEMBL24944048 0.86 GAA (0.51) CYP1A2CYP3A4CYP2C19
SCHEMBL24944263 0.85 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL26478951 0.85 ALDH1A1 (0.44) MEN1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL24944476 0.84 ALOX5 (0.51) HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL24944707 0.84 SMN1; SMN2 (0.44) RAB9AKMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL24943769 0.83 ALOX5 (0.47)
SCHEMBL24943718 0.82 CHRM5 (0.56) KMT2AAPPHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230021453-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-26 US disclosed