SCHEMBL9367609

SCHEMBL9367609

CCC(c1ccc(Br)cc1)C1(C)OC(C)(C)CN1C(=O)n1ccnc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CYP19A1 P11511 2/20 0.33
HMOX1 P09601 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP24A1 Q07973 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9367731 0.90 CYP3A4 (0.35) FAAHMGLLCYP19A1ALDH1A1HTT
SCHEMBL9871900 0.80 FAAH (0.34) FAAHMGLLCYP19A1HMOX1ALDH1A1
SCHEMBL9367613 0.75 HMOX1 (0.40) FAAHMGLLCYP19A1HMOX1
SCHEMBL9274736 0.70 USP2 (0.36) FAAHMGLLCYP19A1ALDH1A1HTT
SCHEMBL9369078 0.68 TBXAS1 (0.35) ALDH1A1LMNA
SCHEMBL9371996 0.67 TBXAS1 (0.34)
SCHEMBL9367733 0.65 HMOX1 (0.38) HMOX1
SCHEMBL9871901 0.61 HMOX1 (0.42) FAAHMGLLCYP19A1HMOX1
SCHEMBL4808545 0.59 CYP19A1 (0.48) CYP19A1ALDH1A1MAPTPKMHPGD
SCHEMBL27956563 0.58 HMOX1 (0.62) CYP19A1HMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412681-B1 Azolidine derivatives, process for preparing the same and agricultural and horticultural fungicide UBE INDUSTRIES (JP) 1994-09-28 EP claimed
EP-0412681-A1 Azolidine derivatives, process for preparing the same and agricultural and horticultural fungicide UBE INDUSTRIES, LTD. (JP) 1991-02-13 EP claimed
EP-0412681-B1 Azolidine derivatives, process for preparing the same and agricultural and horticultural fungicide UBE INDUSTRIES (JP) 1994-09-28 EP disclosed
US-5061719-A AZOLIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE UBE INDUSTRIES, LTD. (JP) 1991-10-29 US disclosed
EP-0412681-A1 Azolidine derivatives, process for preparing the same and agricultural and horticultural fungicide UBE INDUSTRIES, LTD. (JP) 1991-02-13 EP disclosed