SCHEMBL9622822

SCHEMBL9622822

CCC(CC)c1cccc(COC(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
F10 P00742 4/20 0.41
POLB P06746 1/20 0.40
F2 P00734 3/20 0.39
PRSS1 P07477 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL11502156 0.81 CA1 (0.40) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL11157697 0.81 PTGS1 (0.50) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9677464 0.80 LMNA (0.48) POLBF2ALDH1A1MEN1KMT2A
SCHEMBL6648255 0.79 ALDH1A1 (0.43) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL7656159 0.76 IDO1 (0.59) POLBMEN1KMT2A
SCHEMBL26992213 0.76 FFAR1 (0.43) SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL13176888 0.74 CYP1A2 (0.80) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL3881721 0.74 THRA (0.47) POLBALDH1A1LMNATDP1
SCHEMBL20109593 0.74 ENPP2 (0.52) SMN1; SMN2ALDH1A1LMNA
SCHEMBL28330985 0.74 PRKCA (0.47) SMN1; SMN2POLBF2PRSS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300691-B1 PLANT-PROTECTIVE COMPOSITION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-03-04 EP disclosed
US-4943307-A WATER-INSOLUBLE MATERIALS IN SOLVENT MIXTURE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-07-24 US disclosed
WO-1989000380-A1 PLANT-PROTECTIVE COMPOSITION Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1989-01-26 WO disclosed
EP-0300691-A2 Plant-protective composition CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-01-25 EP disclosed