SCHEMBL10933445

SCHEMBL10933445

CCCCN(CCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.95
KDM4E B2RXH2 1/20 0.95
POLB P06746 1/20 0.95
GAA P10253 1/20 0.95
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
BCL2L1 Q07817 2/20 0.47
MCL1 Q07820 2/20 0.47
PPARA Q07869 1/20 0.41
PTPN11 Q06124 1/20 0.41
PTPRO Q16827 1/20 0.41
CNR2 P34972 1/20 0.40
RECQL P46063 1/20 0.40
HTR7 P34969 1/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CDC25A P30304 1/20 0.38

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
SCHEMBL267885 0.97 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL264702 0.95 ALDH1A1 (0.85) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3660975 0.94 ALDH1A1 (0.93) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3659209 0.93 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL264913 0.93 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3656127 0.93 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL10780555 0.90 KMT2A (0.85) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11080174 0.89 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL28522125 0.89 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL9320570 0.89 ALDH1A1 (0.83) ALDH1A1KDM4EPOLBGAAKMT2A

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
JP-60141762-A None JP disclosed
JP-S60141762-A FLUORAN COMPOUND AND HEAT-SENSITIVE RECORDING SHEET CONTAINING THE SAME NIPPON KAYAKU CO LTD 1985-07-26 JP disclosed