SCHEMBL8947996

SCHEMBL8947996

CCOC(=O)N1c2ccccc2C=CC1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.75
LMNA P02545 2/20 0.75
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
P2RX4 Q99571 6/20 0.43
BCHE P06276 1/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
P2RX1 P51575 3/20 0.40
P2RX3 P56373 3/20 0.40
P2RX7 Q99572 2/20 0.40
PTBP1 P26599 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11728362 0.87 SMN1; SMN2 (0.82) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL29367804 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL338 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL367474 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL9187854 0.86 SMN1; SMN2 (0.80) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL23705539 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL8947992 0.85 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL8401577 0.84 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL1334936 0.83 SMN1; SMN2 (0.76) SMN1; SMN2LMNAMEN1KMT2AP2RX4
SCHEMBL11803865 0.83 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2AP2RX4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527811-A CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0634402-A1 Isochinolinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-01-18 EP disclosed
EP-0114787-B1 PEPTIDE DERIVATIVES CIBA-GEIGY AG (CH) 1991-09-25 EP disclosed
EP-0114787-A2 Peptide derivatives CIBA-GEIGY AG (CH) 1984-08-01 EP disclosed
US-4013468-A Method of hardening a protein-containing layer of a silver halide photographic material with an alkyl ester of 1,2-dihydroquinoline-N-carboxylic acid AGFA-GEVAERT, A.G. (DT) 1977-03-22 US disclosed