SCHEMBL9314699

SCHEMBL9314699

C=CC(=C(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1)C1(c2ccccc2)OC(=O)c2cc(N(C)C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 4/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
UTS2R Q9UKP6 2/20 0.33
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 2/20 0.33
THRB P10828 2/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 2/20 0.33
MDM2 Q00987 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33

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
SCHEMBL9313606 0.96 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9314735 0.92 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9313962 0.90 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9313090 0.89 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9312642 0.89 ALDH1A1 (0.36) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9312528 0.83 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9313965 0.83 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9313551 0.82 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9313241 0.82 CYP3A4 (0.47) ALDH1A1HPGDCYP3A4HIF1AHSD17B10
SCHEMBL9312454 0.82 CYP3A4 (0.47) ALDH1A1HPGDCYP3A4HIF1AHSD17B10

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-5286702-A Color coupler for infrared recording YAMADA CHEMICAL CO., LTD. (JP) 1994-02-15 US disclosed