SCHEMBL10723778

SCHEMBL10723778

CCS(=O)(=O)c1cc(C(=O)Cl)c(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ DRD2 P14416 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38

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
SCHEMBL10721842 0.88 KDM4E (0.42) KDM4ENPSR1DRD2LMNAHTR2A
SCHEMBL28339029 0.86 DRD2 (0.52) KDM4ENPSR1DRD2LMNAHTR2A
SCHEMBL10723753 0.85 KDM4E (0.61) KDM4ENPSR1DRD2LMNAHTR2A
SCHEMBL10671426 0.83 KDM4E (0.51) KDM4ENPSR1LMNATSHRCYP3A4
SCHEMBL10560818 0.83 NPSR1 (0.51) KDM4ENPSR1LMNACYP3A4KMT2A
SCHEMBL12515330 0.78 CYP3A4 (0.52) KDM4ENPSR1TSHRCYP3A4KMT2A
SCHEMBL3651991 0.77 CYP3A4 (0.61) KDM4ETSHRMAPK1CYP3A4KMT2A
SCHEMBL8902778 0.76 CYP3A4 (0.54) KDM4ELMNATSHRCYP3A4KMT2A
SCHEMBL10723820 0.76 DRD2 (0.50) DRD2LMNAHTR2BADRA2ATSHR
SCHEMBL10740489 0.76 TRPV4 (0.51) KDM4EHTR2AHTR2BTSHRKMT2A

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
US-4673686-A CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) 1987-06-16 — — US disclosed
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