SCHEMBL9022908

SCHEMBL9022908

CCC1(c2cccc(OCc3ccccc3)c2)COC(C)(C)O1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.57
MAOB P27338 4/20 0.45
ADAM17 P78536 2/20 0.43
BCHE P06276 2/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL9366361 0.89 ALOX5 (0.74) ALOX5ADAM17
SCHEMBL9370317 0.88 ALOX5 (0.55) ALOX5MAOBADAM17BCHEHTR2B
SCHEMBL9365968 0.85 ALOX5 (0.44) ALOX5MAOBHTR2BTMEM97SIGMAR1
SCHEMBL9582882 0.81 ALOX5 (0.52) ALOX5ADAM17HTR1A
SCHEMBL9368934 0.79 ALOX5 (0.64) ALOX5ADAM17
SCHEMBL9583811 0.78 ALOX5 (0.66) ALOX5ADAM17
SCHEMBL9244988 0.77 ALOX5 (0.36) ALOX5
SCHEMBL9023108 0.77 ACHE (0.42)
SCHEMBL9022255 0.76 ALOX5 (0.58) ALOX5ADAM17
SCHEMBL9364733 0.76 ALOX5 (0.60) ALOX5ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385679-B1 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LTD (GB) 1996-04-24 EP disclosed
US-5302603-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
EP-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP disclosed
US-5219881-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
US-5196419-A Lipoxygenase enzyme inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed