SCHEMBL9749089

SCHEMBL9749089

O=C(NCCCCCc1ccccc1)Nc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.88
KDM4E B2RXH2 1/20 0.88
KMT2A Q03164 7/20 0.78
MEN1 O00255 3/20 0.72
ALDH1A1 P00352 3/20 0.71
CNR1 P21554 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
LMNA P02545 2/20 0.70
TP53 P04637 1/20 0.70
HDAC1 Q13547 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
TRPV1 Q8NER1 1/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61

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
SCHEMBL21045306 0.98 EPHX1 (0.90) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL12196188 0.93 EPHX1 (1.00) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL19420655 0.90 EPHX1 (0.83) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL9547553 0.90 EPHX1 (0.83) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093712 0.88 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093656 0.88 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093399 0.88 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093824 0.88 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093939 0.88 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15093650 0.88 EPHX2 (0.74) EPHX1KDM4EKMT2AMEN1ALDH1A1

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
US-5126483-A Anticholesterol and antilipemic agents MITSUBISHI KASEI CORPORATION (JP) 1992-06-30 US disclosed