SCHEMBL9871900

SCHEMBL9871900

CCC(c1ccc(Br)cc1)C1(C)OCC(C)(C)N1C(=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
HMOX1 P09601 3/20 0.33
CYP19A1 P11511 2/20 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
SCHEMBL9274736 0.90 USP2 (0.36) FAAHMGLLCYP19A1ALDH1A1HTT
SCHEMBL9367609 0.80 FAAH (0.34) FAAHMGLLHMOX1CYP19A1ALDH1A1
SCHEMBL9871901 0.75 HMOX1 (0.42) FAAHMGLLHMOX1CYP19A1
SCHEMBL9367731 0.70 CYP3A4 (0.35) FAAHMGLLCYP19A1ALDH1A1HTT
SCHEMBL6048041 0.64 HMOX1 (0.40) HMOX1
SCHEMBL28473675 0.62 ALDH1A1 (0.37) FAAHMGLLALDH1A1MAPTLMNA
SCHEMBL9367613 0.61 HMOX1 (0.40) FAAHMGLLHMOX1CYP19A1
SCHEMBL4808545 0.59 CYP19A1 (0.48) CYP19A1ALDH1A1MAPTPKMHPGD
SCHEMBL27956563 0.58 HMOX1 (0.62) HMOX1CYP19A1
SCHEMBL30935682 0.58 FAAH (0.35) FAAHMGLLALDH1A1LMNA

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-5061719-A AZOLIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE UBE INDUSTRIES, LTD. (JP) 1991-10-29 US claimed