SCHEMBL9681309

SCHEMBL9681309

COCCC(CCOC)C(C)(N)C(=O)c1ccc(N(CCOC)CCOC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 4/20 0.33
ERBB2 P04626 4/20 0.33
NAMPT P43490 2/20 0.32
HDAC4 P56524 1/20 0.32
CNR2 P34972 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
OPRK1 P41145 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9766565 0.87 ALDH1A1 (0.49) MLYCDALDH1A1HPGDHTTRAB9A
SCHEMBL10384419 0.81 CA1 (0.47) ALDH1A1HTTRAB9ACYP2D6MEN1
SCHEMBL10384878 0.81 POLB (0.42) ALDH1A1HPGDHTTRAB9ACNR2
SCHEMBL10384260 0.81 CES1 (0.41) HPGDPRSS1KMT2A
SCHEMBL9679848 0.79 PPARA (0.42) ALDH1A1HPGDRAB9A
SCHEMBL9766563 0.79 TAS1R3 (0.42) MLYCDALDH1A1HTTKDM4EMEN1
SCHEMBL9681301 0.78 MLYCD (0.45) MLYCDALDH1A1HPGDHTTRAB9A
SCHEMBL9766582 0.77 MLYCD (0.32) MLYCDALDH1A1
SCHEMBL9766551 0.76 ALDH1A1 (0.43) ALDH1A1HPGDHTTRAB9AMEN1
SCHEMBL17502989 0.74 HPGD (0.48) MLYCDALDH1A1HPGDHTTRAB9A

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed