SCHEMBL21603883

SCHEMBL21603883

CCCCc1c(C)sc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 5/20 0.37
HPGD P15428 5/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK10 P53779 1/20 0.35
ELANE P08246 2/20 0.35
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL21603780 0.94 MEN1 (0.41) ALDH1A1HIF1AMAPK1LMNAMAPT
SCHEMBL15031976 0.82 ALDH1A1 (0.40) ALDH1A1HIF1AMAPK1MAPTHPGD
SCHEMBL18117485 0.78 ALDH1A1 (0.37) ALDH1A1MAPK1LMNAMAPTHPGD
SCHEMBL13569707 0.73 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTHPGDGAA
SCHEMBL23800895 0.73 CYP1A2 (0.36) ALDH1A1MAPK1MAPTHPGDGAA
SCHEMBL21419520 0.71 HTT (0.39) ALDH1A1MAPK1LMNAMAPTHPGD
SCHEMBL21604205 0.71 MAPT (0.57) ALDH1A1LMNAMAPTHPGDGAA
SCHEMBL18117472 0.68 KDM4E (0.38) ALDH1A1HIF1AMAPK1LMNAMAPT
SCHEMBL2096219 0.68 CYP1A2 (0.38) ALDH1A1HIF1AMAPK1LMNAMAPT
SCHEMBL2731284 0.67 CCR5 (0.33) ALDH1A1MEN1KMT2A

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-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed