SCHEMBL8346622

SCHEMBL8346622

CON=C(C1=NOCCO1)c1ccccc1OCc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 3/20 0.40
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ PARP1 P09874 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SLC1A5 Q15758 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PSEN1 P49768 3/20 0.32
▸ PSEN2 P49810 3/20 0.32
▸ APH1B Q8WW43 3/20 0.32

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
SCHEMBL6278805 0.93 NISCH (0.36) SGMS2TRPM8CDK4CCND1HTR1A
SCHEMBL6278806 0.93 NISCH (0.36) SGMS2TRPM8CDK4CCND1HTR1A
SCHEMBL8347576 0.85 L3MBTL1 (0.38) ALDH1A1
SCHEMBL8542898 0.84 DRD4 (0.34) —
SCHEMBL8505944 0.84 DRD4 (0.34) —
SCHEMBL7684837 0.82 NISCH (0.37) SGMS2TRPM8CDK4CCND1ADRA2A
SCHEMBL7684832 0.82 NISCH (0.37) SGMS2TRPM8CDK4CCND1ADRA2A
SCHEMBL7093146 0.80 — —
SCHEMBL8503437 0.80 — —
SCHEMBL6979192 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101790583-A Method for detecting binding between MDM2 and proteasome JANSSEN PHARMACEUTICA NV 2010-07-28 — — CN disclosed
CN-1803798-B Method for producing fungicide compand BAYER AG 2010-06-16 — — CN disclosed
CN-1803798-A Method for producing fungicide compand BAYER AG (DE) 2006-07-19 — — CN disclosed
CN-1057762-C Substituted azadioxacycloalkenes and their use as fungicides BAYER AG (DE) 2000-10-25 — — CN disclosed
CN-1222301-A Process for preparing fungicidal compositions BAYER AG (DE) 1999-07-14 — — CN disclosed
US-5883250-A ARYL SUBSTITUTED COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 — — US disclosed
EP-0712396-B1 SUBSTITUTED AZADIOXACYCLOALKENES AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1998-11-04 — — EP disclosed
US-5679676-A Substituted azadioxacycloalkenes and their use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 — — US disclosed
CN-1132507-A Substituted diazadioxacycloalkenes and their use as fungicides BAYER AG (DE) 1996-10-02 — — CN disclosed
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