SCHEMBL9628808

SCHEMBL9628808

CCCCCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
KDM4E B2RXH2 1/20 0.82
POLB P06746 1/20 0.82
GAA P10253 1/20 0.82
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
PTPN11 Q06124 2/20 0.46
PTPRO Q16827 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
PPARA Q07869 1/20 0.45
CNR2 P34972 3/20 0.43
STAT3 P40763 1/20 0.41
KAT8 Q9H7Z6 2/20 0.40
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL11080174 0.99 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL3659209 0.95 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL3656127 0.95 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL264913 0.95 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL3660975 0.94 ALDH1A1 (0.93) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL10780555 0.90 KMT2A (0.85) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL267885 0.90 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBGAAMEN1
1-Hexanol SCHEMBL28511495 0.90 SMN1; SMN2 (0.80) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL10933445 0.88 ALDH1A1 (0.95) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL11083623 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EPOLBGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-4444591-A AMINO-ANILINOFLUORANS YAMADA CHEMICAL CO., LTD. (JP) 1984-04-24 US disclosed