SCHEMBL26413331

SCHEMBL26413331

C=CCO/C=C/C(=O)OC1(c2ccccc2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.39
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
TACR1 P25103 2/20 0.33
CYP3A4 P08684 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA3 P22001 1/20 0.32
LMNA P02545 1/20 0.31
HDAC1 Q13547 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL24944254 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1TACR1HDAC1
SCHEMBL24944262 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1TACR1HDAC1
SCHEMBL24944237 0.78 LMNA (0.43) OPRM1SMN1; SMN2LMNAHDAC1
SCHEMBL24944587 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1TACR1HDAC1
SCHEMBL26478567 0.78 OPRM1 (0.42) OPRM1OPRD1OPRK1TACR1HDAC1
SCHEMBL26413343 0.78 OPRM1 (0.48) OPRM1OPRD1OPRK1TACR1
SCHEMBL24944588 0.77 OPRM1 (0.44) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL26413364 0.77 OPRM1 (0.56) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL26478588 0.76 OPRM1 (0.41) OPRM1OPRD1OPRK1TACR1CYP3A4
SCHEMBL26413348 0.76 OPRM1 (0.43) OPRM1OPRD1OPRK1TACR1HDAC1

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
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