SCHEMBL26413847

SCHEMBL26413847

COc1ccc(/C=C/C(=O)OC2(c3ccccc3)CCNCC2)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1B1 Q16678 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFE2L2 Q16236 2/20 0.41
CHRNA7 P36544 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTR1A P08908 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LY96 Q9Y6Y9 1/20 0.37
KMT2A Q03164 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
SCHEMBL24944908 0.92 NFE2L2 (0.52) NPC1LMNARAB9ACYP1A1CYP1A2
SCHEMBL24944226 0.88 NPC1 (0.44) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL24943655 0.87 NFE2L2 (0.50) NPC1LMNARAB9ASMN1; SMN2CYP1A1
SCHEMBL24944265 0.87 NFE2L2 (0.50) NPC1LMNARAB9ASMN1; SMN2CYP1A1
SCHEMBL24944708 0.85 HTR1A (0.58) LMNATP53ABCG2CYP1A2CYP2D6
SCHEMBL24944898 0.84 MAPT (0.54) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL24944878 0.84 JUN (0.51) NPC1LMNARAB9ASMN1; SMN2ABCG2
SCHEMBL24943719 0.83 ALDH1A1 (0.52) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL24944889 0.81 TTR (0.53) CYP1A1CYP1A2CYP1B1
SCHEMBL24943657 0.80 OPRM1 (0.42) LMNATP53RAB9ASMN1; SMN2CYP1A2

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