SCHEMBL7992964

SCHEMBL7992964

CCCC(C)CCCOc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.56
PTK2B Q14289 1/20 0.56
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 3/20 0.54
RECQL P46063 1/20 0.54
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HSD17B10 Q99714 2/20 0.49
PTPN11 Q06124 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL7994996 0.90 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL9144185 0.90 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL10821861 0.85 KDM4E (0.52) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL7998596 0.85 HTT (0.63) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL28369111 0.84 KMT2A (0.56) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL16105088 0.84 HTT (0.59) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL9787495 0.83 HTT (0.58) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL29994009 0.83 KMT2A (0.69) ALDH1A1KMT2APTK2BKDM4EMEN1
Benzene SCHEMBL28006345 0.83 KMT2A (0.69) ALDH1A1KMT2APTK2BKDM4EMEN1
SCHEMBL301123 0.83 KMT2A (0.69) ALDH1A1KMT2APTK2BKDM4EMEN1

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
EP-0982621-B1 Film for optical elements NIPPON MITSUBISHI OIL CORP (JP) 2012-10-10 EP disclosed
US-6294229-B1 Film for optical elements NIPPON MITSUBISHI OIL COMPANY (JP) 2001-09-25 US disclosed
EP-0982621-A2 Film for optical elements Nippon Mitsubishi Oil Corporation (JP) 2000-03-01 EP disclosed