SCHEMBL29618229

SCHEMBL29618229

CC(C)(C(O)c1cccc2c1Cc1ccccc1-2)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.34
PNMT P11086 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KMT2A Q03164 2/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
KCNJ1 P48048 1/20 0.32
DRD2 P14416 2/20 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
SCHEMBL29618230 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PNMT
SCHEMBL29618232 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PNMT
SCHEMBL20163227 0.73 ALDH1A1 (0.45) RAB9ASMN1; SMN2TSHRMAPK1GAA
SCHEMBL2231457 0.71 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1PNMT
SCHEMBL26434306 0.70 PNMT (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PNMT
SCHEMBL10516045 0.67 PNMT (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PNMT
SCHEMBL6672847 0.67 PNMT (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL6675580 0.67 PNMT (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PNMT
SCHEMBL29617348 0.67 PNMT (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
Tetrahydrofuran SCHEMBL8625099 0.67 PNMT (0.40) NPC1RAB9ASMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022091711-A1 PHOTOSENSITIVE COLORED RESIN COMPOSITION, CURED PRODUCT, COLOR FILTER, AND DISPLAY DEVICE 株式会社DNPファインケミカル 2022-05-05 WO disclosed