SCHEMBL11825811

SCHEMBL11825811

O=C(NC1CC1)C(Cl)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MMP12 P39900 4/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ EPHX1 P07099 1/20 0.46
▸ MME P08473 5/20 0.46
▸ ACE P12821 4/20 0.44
▸ CPA1 P15085 4/20 0.44
▸ ACE2 Q9BYF1 4/20 0.44
▸ SMYD3 Q9H7B4 2/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL11835980 0.79 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL11823662 0.78 MMP12 (0.58) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11829069 0.77 MMP12 (0.61) MMP12MMP2MMP9MMP13MMP14
SCHEMBL21012482 0.76 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL11828178 0.75 MMP12 (0.55) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11835988 0.74 MEN1 (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL11827662 0.73 MMP12 (0.56) SMN1; SMN2MMP12MMP2MMP9MMP13
SCHEMBL11829944 0.73 MMP12 (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL11835616 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL11830559 0.71 MMP12 (0.51) MMP12MMP2MMP9MMP13MMP14

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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