SCHEMBL9722845

SCHEMBL9722845

CCOC(=O)NC(C)Oc1ccccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
L3MBTL1 Q9Y468 3/20 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
SCHEMBL9324083 0.86 POLB (0.48) RAB9AHTTPOLBMAPTNPSR1
SCHEMBL4653234 0.73 NPC1 (0.51) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9856492 0.73 SMN1; SMN2 (0.47) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL27993659 0.71 TSHR (0.48) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL1538036 0.71 KMT2A (0.69) HTTPOLBTSHRMAPTGAA
SCHEMBL11426475 0.71 NPC1 (0.56) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9633119 0.70 ALDH1A1 (0.48) HPGDALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL11151614 0.70 L3MBTL1 (0.50) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL11841476 0.70 EPHX2 (0.50) ALDH1A1SMN1; SMN2POLBTSHRMAPT
SCHEMBL10827910 0.70 MTNR1A (0.61) NPC1RAB9AHPGDCRHBPCRHR2

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-5116826-A SILAZANEOPHYL SULFIDES, AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed