SCHEMBL22343046

SCHEMBL22343046

CCCCC(CC)CN(S)c1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CA2 P00918 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 4/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ BCL2L1 Q07817 1/20 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
SCHEMBL833730 0.73 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRKDM4ECA2
O-Xylene SCHEMBL17007543 0.72 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRKDM4ECA2
Hydrochloric Acid SCHEMBL11419454 0.72 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRKDM4ECA2
Iodide SCHEMBL30985992 0.72 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRKDM4ECA2
SCHEMBL11722797 0.71 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRKDM4ECA2
O-Xylene SCHEMBL10349866 0.70 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRKDM4ECA2
SCHEMBL15440655 0.70 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRKDM4ECA2
SCHEMBL11108489 0.70 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRKDM4ECA2
SCHEMBL30613922 0.70 NR3C1 (0.41) ALDH1A1CYP3A4TSHRKDM4ECA2
SCHEMBL23758984 0.70 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRKDM4ECA2

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-2020162007-A1 COLORED CURABLE RESIN COMPOSITION 住友化学株式会社 2020-08-13 — — WO disclosed
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