SCHEMBL29268752

SCHEMBL29268752

COc1ccccc1-c1cccc2c1ccc1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
HPRT1 P00492 1/20 0.52
AHR P35869 1/20 0.48
HPGD P15428 4/20 0.46
CNR2 P34972 1/20 0.46
PPARG P37231 1/20 0.45
STK10 O94804 1/20 0.45
SLK Q9H2G2 1/20 0.45
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.44
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL3598954 0.90 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL28412513 0.89 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL1005616 0.86 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL29177784 0.86 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL9611885 0.83 GPR84 (0.55) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL28244085 0.82 PPARG (0.54) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL29769915 0.82 HPRT1 (0.78) ALDH1A1MAPTMEN1KMT2AHPRT1
SCHEMBL593261 0.82 HPRT1 (0.78) ALDH1A1MAPTMEN1KMT2AHPRT1
SCHEMBL29445992 0.82 HPRT1 (0.78) ALDH1A1MAPTMEN1KMT2AHPRT1
SCHEMBL30021848 0.80 HPRT1 (0.74) ALDH1A1MAPTMEN1KMT2AHPRT1

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-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed