SCHEMBL8425831

SCHEMBL8425831

COc1cccc(SC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CYP3A4 P08684 2/20 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
SCHEMBL4460479 0.86 SMN1; SMN2 (0.43) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL5026209 0.84 SMN1; SMN2 (0.48) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL8425830 0.81 SMN1; SMN2 (0.45) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL5026211 0.81 SMN1; SMN2 (0.45) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL22571315 0.80 CYP1A1 (0.46) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL30514820 0.79 CA1 (0.57) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL71009 0.79 CA1 (0.57) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL16961008 0.78 LMNA (0.39) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL13696441 0.78 POLB (0.46) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1
SCHEMBL700365 0.78 POLB (0.46) CYP1A2CYP1A1CYP1B1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 — — US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 — — EP disclosed
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 — — CN disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 — — EP disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 — — US disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 — — WO disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 — — US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 — — US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 — — US disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 — — CN disclosed
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