SCHEMBL9700293

SCHEMBL9700293

O=CC1=CC(Cc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GBA1 P04062 1/20 0.36
CALM1 P0DP23 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35

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
SCHEMBL9701554 0.77 GBA1 (0.33) GBA1ADH1BADH1CADH1AADH7
SCHEMBL27311006 0.74 GAA (0.42) ALDH1A1LMNA
SCHEMBL29077882 0.69 NOS1 (0.41) GBA1
SCHEMBL7565494 0.68 GBA1 (0.45) GBA1CALM1
SCHEMBL9379151 0.67 GBA1 (0.41) GBA1CALM1
SCHEMBL8651985 0.67 GBA1 (0.40) GBA1ADH1BADH1CADH1AADH7
SCHEMBL6519938 0.66 GBA1 (0.43) GBA1CALM1
SCHEMBL9700271 0.66 MMP3 (0.42) LMNA
Formic Acid SCHEMBL27972755 0.65 GBA1 (0.53) LMNAGBA1
SCHEMBL1200483 0.64 GBA1 (0.42) ALDH1A1GBA1CALM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120884-A Preparation of hydroxy arylcyclobutenes THE DOW CHEMICAL COMPANY (US) 1992-06-09 US claimed
US-5120884-A Preparation of hydroxy arylcyclobutenes THE DOW CHEMICAL COMPANY (US) 1992-06-09 US disclosed