SCHEMBL9383279

SCHEMBL9383279

CC(O)C1CN(Cc2ccccc2)CC1CO

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 6/20 0.58
▸ RORC P51449 1/20 0.51
▸ FUCA1 P04066 2/20 0.47
▸ GRIN2B Q13224 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42

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
SCHEMBL1190716 0.82 GBA1 (0.75) GBA1RORCFUCA1S1PR1S1PR5
SCHEMBL14759418 0.82 GBA1 (0.75) GBA1RORCFUCA1S1PR1S1PR5
SCHEMBL742926 0.82 GBA1 (0.75) GBA1RORCFUCA1S1PR1S1PR5
SCHEMBL14759416 0.82 GBA1 (0.75) GBA1RORCFUCA1S1PR1S1PR5
SCHEMBL24759877 0.81 GBA1 (0.50) GBA1ALDH1A1TSHRKDM4ES1PR5
SCHEMBL12303419 0.79 RORC (0.64) RORCFUCA1GRIN2BKDM4ES1PR1
SCHEMBL8089289 0.79 RORC (0.64) RORCFUCA1GRIN2BKDM4ES1PR1
SCHEMBL8089286 0.79 RORC (0.64) RORCFUCA1GRIN2BKDM4ES1PR1
SCHEMBL12303418 0.79 RORC (0.64) RORCFUCA1GRIN2BKDM4ES1PR1
SCHEMBL4094892 0.78 GBA1 (0.65) GBA1FUCA1S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 — — EP disclosed
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 — — US disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 — — EP disclosed
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