SCHEMBL11278038

SCHEMBL11278038

CCCOc1ccc(C(CC(N)=O)CC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ACACB O00763 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PLK1 P53350 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACACA Q13085 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL11075541 0.94 LMNA (0.66) LMNAGAAHTTMMP9MMP8
SCHEMBL11080051 0.87 PARP10 (0.56) LMNAGAAHTTACACBPLK1
SCHEMBL2224153 0.85 SMN1; SMN2 (0.58) LMNAMMP9MMP8MMP13ACACB
SCHEMBL11083428 0.82 KMT2A (0.52) LMNAACACBL3MBTL1SMN1; SMN2ACACA
SCHEMBL22504107 0.81 PARP10 (0.50) LMNAGAAHTTMMP9MMP8
SCHEMBL11071292 0.80 L3MBTL1 (0.61) L3MBTL1CA1CA2
SCHEMBL11079676 0.78 CA12 (0.49) LMNAHTTACACBL3MBTL1PLK1
SCHEMBL14437955 0.77 LMNA (0.48) LMNAGAAHTTMMP9MMP8
SCHEMBL5327477 0.77 MMP9 (0.62) LMNAGAAHTTMMP9MMP8
SCHEMBL18713940 0.77 LTA4H (0.50) LMNAACACBL3MBTL1PLK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed