SCHEMBL9868945

SCHEMBL9868945

[NH]C(=O)c1ccccc1NC(=O)CCOc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
THRB P10828 1/20 0.59
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
MAPK10 P53779 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL11597574 0.85 MAPK10 (0.72) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL19500938 0.77 CYP1A2 (0.75) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6804609 0.76 CYP1A2 (0.57) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL9003567 0.74 ALDH1A1 (0.63) SMN1; SMN2CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL3410944 0.74 THRB (1.00) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4773749 0.73 MMP3 (0.81) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL6032429 0.73 HCAR2 (0.81) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1547988 0.72 CYP1A2 (0.58) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL3408850 0.72 NPC1 (0.75) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL20840643 0.72 KMT2A (0.60) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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-5051342-A Sharpness, whiteness FUJI PHOTO FILM CO., LTD. (JP) 1991-09-24 US disclosed
US-4880726-A TRANSMITTING LIGHT THROUGH A BAND STOP FILTER; REDUCED COLOR MIXING FUJI PHOTO FILM CO., LTD. (JP) 1989-11-14 US disclosed