SCHEMBL4007541

SCHEMBL4007541

CC(=O)Nc1ccc(C=C(C(=O)OC2CCCCC2)C(=O)OC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
KMT2A Q03164 1/20 0.51
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NAMPT P43490 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
SCHEMBL4008900 0.81 LMNA (0.48) LMNAKMT2ADHODHALDH1A1SMN1; SMN2
SCHEMBL13240376 0.81 HDAC3 (0.43) LMNAKMT2ASMN1; SMN2RAB9AHTT
SCHEMBL13299640 0.80 MEN1 (0.47) LMNAKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4007127 0.79 DPEP1 (0.39) LMNAKMT2ARAB9AMAPTNPSR1
SCHEMBL13299639 0.78 SMN1; SMN2 (0.40) LMNAKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL10996472 0.78 KMT2A (0.46) LMNAKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL10996467 0.78 KMT2A (0.46) LMNAKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL8038684 0.76 NAMPT (0.60) LMNAKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL1996947 0.75 AKR1C3 (0.51) LMNAKMT2ADHODHALDH1A1SMN1; SMN2
SCHEMBL11779413 0.73 LMNA (0.46) LMNAKMT2AALDH1A1RAB9ANPC1

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
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO disclosed