SCHEMBL8943032

SCHEMBL8943032

CCC(C)c1cccc(C=NO)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.49
TSHR P16473 4/20 0.49
HPGD P15428 4/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 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
SCHEMBL8943030 1.00 ALOX12 (0.49) ALOX12TSHRHPGDPOLBGAA
SCHEMBL21173608 0.83 HPGD (0.57) ALOX12TSHRHPGDPOLBGAA
SCHEMBL11203822 0.83 ALOX12 (0.42) ALOX12HPGDPOLBGAAKDM4E
SCHEMBL28000035 0.81 TSHR (0.49) TSHRHPGDKDM4EMAPTGABRA1
SCHEMBL23491266 0.80 TSHR (0.52) TSHRHPGDGABRA1GABRB2FAAH
SCHEMBL310186 0.80 TSHR (0.52) TSHRHPGDTDP1GABRA1GABRB2
SCHEMBL6900092 0.80 TSHR (0.52) TSHRHPGDTDP1GABRA1GABRB2
SCHEMBL202738 0.78 TSHR (0.68) TSHRHPGDPOLBGAAUSP2
SCHEMBL560346 0.78 TSHR (0.68) TSHRHPGDPOLBGAAUSP2
SCHEMBL561299 0.78 TSHR (0.68) TSHRHPGDPOLBGAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036710-C Chemical process ZENECA LTD (GB) 1997-12-17 CN disclosed
EP-0584988-B1 Process for the preparation of salicylaldoxine derivatives ZENECA LTD (GB) 1996-10-23 EP disclosed
US-5502254-A Method for the preparation of 2-hydroxyarylaldoximes ZENECA LIMITED (GB) 1996-03-26 US disclosed
US-5399761-A Method for the preparation of 2-hydroxyarylaldoximes ZENECA LIMITED (GB) 1995-03-21 US disclosed
CN-1099377-A Chemical process ZENECA LTD (GB) 1995-03-01 CN disclosed
EP-0584988-A1 Process for the preparation of salicylaldoxine derivatives ZENECA LIMITED (GB) 1994-03-02 EP disclosed