SCHEMBL28643190

SCHEMBL28643190

CC(C)=Cc1c(-c2ccccc2)n(C)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
HSD17B10 Q99714 3/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.51
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TEK Q02763 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
POLB P06746 1/20 0.46
HK1 P19367 1/20 0.45
HKDC1 Q2TB90 1/20 0.45

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
SCHEMBL29597486 0.82 ALDH1A1 (0.60) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL13029452 0.82 ALDH1A1 (0.60) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL10652626 0.81 ALDH1A1 (0.73) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL10528743 0.80 ALDH1A1 (0.71) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL1429358 0.80 ALDH1A1 (1.00) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL19240071 0.80 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL23691800 0.80 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL21704807 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL1872405 0.79 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL1872407 0.79 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP2C19HPGD

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
CN-113527857-A Polycarbonate resin film 三菱化学株式会社 2021-10-22 CN disclosed