SCHEMBL9182149

SCHEMBL9182149

CCOCC(=O)Nc1cccc(OCC)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
HPGD P15428 5/20 0.79
KMT2A Q03164 4/20 0.69
MEN1 O00255 1/20 0.69
HTT P42858 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 6/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
AHR P35869 1/20 0.56
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.54
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL19721130 0.88 HPGD (1.00) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL1142037 0.86 HTT (0.72) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL11639865 0.84 HTT (0.68) ALDH1A1HPGDKMT2AHTTHSD17B10
SCHEMBL11547327 0.84 HTT (0.68) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL28791766 0.83 HTT (0.61) ALDH1A1HPGDKMT2AHTTHSD17B10
SCHEMBL17213603 0.82 KMT2A (0.78) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL14622912 0.82 KMT2A (0.78) ALDH1A1HPGDKMT2AMEN1HSD17B10
SCHEMBL10264545 0.81 SMN1; SMN2 (0.67) KMT2AMEN1HTTHSD17B10SMN1; SMN2
SCHEMBL19721129 0.81 POLB (0.75) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL28208041 0.81 HTT (0.65) ALDH1A1KMT2AMEN1HTTHSD17B10

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-0372281-B1 Photographic recording material AGFA GEVAERT AG (DE) 1995-06-14 EP disclosed
US-5134061-A Nondiffusing \"building blocks\" (couplers, development inhibitors etc.) having a sulfonamide group and a secondary branched alkyl of 14 carbons or more; low-melting; crystal growth inhibitors; high-density color AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed
EP-0372281-A2 Photographic recording material Agfa-Gevaert AG (DE) 1990-06-13 EP disclosed