SCHEMBL10458618

SCHEMBL10458618

CS(=O)(=O)c1ccccc1OCCF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 4/20 0.43
▸ DRD1 P21728 2/20 0.43
▸ ADRA1A P35348 2/20 0.42
▸ ADRA1B P35368 2/20 0.42
▸ CASR P41180 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP1 P03956 1/20 0.37

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
SCHEMBL19277425 0.86 CASR (0.45) ADRA1DDRD1ADRA1AADRA1BCASR
SCHEMBL17861662 0.84 CASR (0.43) ADRA1DADRA1AADRA1BCASRDRD2
SCHEMBL4308905 0.82 DRD1 (0.43) DRD1KDM4EELANELMNAMMP2
SCHEMBL29767791 0.82 DRD1 (0.43) DRD1KDM4EELANELMNAMMP2
SCHEMBL16541588 0.82 CYP1A2 (0.53) ADRA1DADRA1AADRA1BCASRADRA2A
SCHEMBL13589549 0.82 CASR (0.42) ADRA1DADRA1AADRA1BCASRKDM4E
SCHEMBL9324876 0.81 CASR (0.41) ADRA1DDRD1ADRA1AADRA1BCASR
SCHEMBL17848675 0.81 CASR (0.41) ADRA1DDRD1ADRA1AADRA1BCASR
SCHEMBL12125057 0.79 ALDH1A1 (0.48) CASRLMNA
SCHEMBL27939014 0.77 SLC2A1 (0.45) ADRA1DDRD1ADRA1AADRA1BCASR

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-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 — — US disclosed
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