SCHEMBL23920282

SCHEMBL23920282

C=C(C)SC/C(C)=C/c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL9955944 0.77 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPT
SCHEMBL14724413 0.74 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EMAPT
SCHEMBL11051235 0.73 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPT
SCHEMBL11051238 0.73 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPT
SCHEMBL22110382 0.70 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EMAPT
SCHEMBL26456891 0.70 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EMAPT
SCHEMBL27514392 0.70 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EMAPT
SCHEMBL257719 0.69 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EMAPT
SCHEMBL21100000 0.69 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPT
SCHEMBL21133305 0.69 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EMAPT

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
EP-3892623-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed