SCHEMBL2334801

SCHEMBL2334801

NC1(c2ccccc2)OC(=O)c2ccccc21.O=C1OCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
MAOB P27338 4/20 0.56
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
NPSR1 Q6W5P4 6/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
CYP2C19 P33261 5/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TYMS P04818 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39

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
SCHEMBL2334036 0.85 CFTR (0.61) CFTRGOPCNPSR1GAAPOLB
SCHEMBL1899522 0.82 CFTR (0.58) CFTRGOPCNPSR1GAAPOLB
Benzene SCHEMBL18492989 0.76 MAOA (0.95) MAOAMAOBGAASMN1; SMN2CYP2C19
SCHEMBL29448271 0.74 MAOA (1.00) MAOAMAOBGAASMN1; SMN2CYP2C19
SCHEMBL6903786 0.74 MAOA (1.00) MAOAMAOBGAASMN1; SMN2CYP2C19
SCHEMBL6353583 0.74 MAOA (1.00) MAOAMAOBGAASMN1; SMN2CYP2C19
SCHEMBL11522370 0.74 MAOA (1.00) MAOAMAOBGAASMN1; SMN2CYP2C19
SCHEMBL22284 0.74 MAOA (1.00) MAOAMAOBGAASMN1; SMN2CYP2C19
Fluoride SCHEMBL8592140 0.73 MAOA (0.95) MAOAMAOBGAASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL11215152 0.73 MAOA (0.95) MAOAMAOBGAASMN1; SMN2CYP2C19

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
EP-2358840-A1 MULTI COLOR, PHOTOACTIVE, COLOR CHANGING COMPOSITIONS AND UV DOSIMETERS BASF SE (DE) 2011-08-24 EP disclosed
WO-2010037660-A1 MULTI COLOR, PHOTOACTIVE, COLOR CHANGING COMPOSITIONS AND UV DOSIMETERS BASF SE (DE) 2010-04-08 WO disclosed