SCHEMBL9033969

SCHEMBL9033969

Cc1ccccc1OC(C)(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 1/20 0.35
HPGD P15428 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GLA P06280 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL9034308 0.80 CA1 (0.52) NPSR1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL9161422 0.78 KMT2A (0.38) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8799400 0.77 MAOB (0.39) MEN1KMT2ARXRARXRBRXRG
SCHEMBL29690513 0.76 TSHR (0.45) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL2737142 0.76 TSHR (0.45) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL3417543 0.76 ERN1 (0.43) ALDH1A1NPC1SMN1; SMN2HPGDKDM4E
SCHEMBL28460446 0.76 ADRB2 (0.41) ALDH1A1RAB9ASMN1; SMN2KDM4EDRD2
SCHEMBL9037118 0.76 POLB (0.37) NPSR1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL9034506 0.76 ADRA2A (0.38) MEN1KMT2ASMN1; SMN2HPGDDRD2
SCHEMBL13012364 0.74 TSHR (0.43) TSHRALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP claimed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO claimed
CN-1034120-C Pyridine derivatives ZENECA LTD (GB) 1997-02-26 CN disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
EP-0396698-B1 MANUFACTURE OF ARYLOXYALDEHYDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-23 EP disclosed
US-5169974-A Process for manufacturing aryloxyaldehydes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-08 US disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP disclosed
CN-1041942-A Pyridine derivate ICI PLC (GB) 1990-05-09 CN disclosed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed