SCHEMBL24535271

SCHEMBL24535271

CC1(C)CCCC(C)(C)P1c1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
DNMT1 P26358 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 4/20 0.33
SLC6A4 P31645 3/20 0.33
PTPN11 Q06124 1/20 0.33
BRD4 O60885 1/20 0.33
GSK3B P49841 1/20 0.32
ADK P55263 1/20 0.32
SLC6A2 P23975 3/20 0.32
TYMP P19971 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
HTT P42858 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
SCHEMBL350498 0.83 DNMT1 (0.39) DHFRDNMT1SMN1; SMN2MAPTALDH1A1
SCHEMBL351208 0.80 DHFR (0.32) DHFRDNMT1SMN1; SMN2MAPTALDH1A1
SCHEMBL24535284 0.76
SCHEMBL24535388 0.72
SCHEMBL24535273 0.72 OPRM1 (0.30)
SCHEMBL24535298 0.68 SLC6A4 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL24535288 0.67 SCN1A (0.33) SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL30122801 0.67 DNMT1 (0.47) DHFRDNMT1SMN1; SMN2MAPTALDH1A1
SCHEMBL366604 0.67 KDM4E (0.40) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL27263879 0.66 ALDH1A1 (0.53) DHFRDNMT1SMN1; SMN2MAPTALDH1A1

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-2022132048-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-23 WO disclosed