SCHEMBL11314484

SCHEMBL11314484

CCOc1cc(N2CCCC2)ccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
MAPT P10636 5/20 0.50
MRGPRX4 Q96LA9 2/20 0.48
MAPK1 P28482 2/20 0.48
SLC22A1 O15245 1/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
PTGS2 P35354 1/20 0.48
PDE4D Q08499 1/20 0.48
ABCC8 Q09428 1/20 0.48
NR1I3 Q14994 1/20 0.48
ABCC2 Q92887 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL11432002 0.86 HIF1A (0.55) LMNAMAPTMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL11437965 0.85 HIF1A (0.56) LMNAMAPTMRGPRX4ABCC8ALDH1A1
SCHEMBL3125880 0.78 PRKDC (0.58) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7166496 0.77 PRKDC (0.56) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10995462 0.77 PRKDC (0.56) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10693658 0.76 ALDH1A1 (0.56) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9416209 0.74 SMN1; SMN2 (0.68) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4602768 0.74 PTPN11 (0.50) LMNAMAPTMRGPRX4MAPK1ADRA1A
SCHEMBL9312548 0.72 ALDH1A1 (0.64) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9416202 0.72 ALDH1A1 (0.73) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2

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-4269978-A CHROMOGENS; ENCAPSULATED FOR REPRODUCTION AND RECORDING PURPOSES CIBA-GEIGY CORPORATION (US) 1981-05-26 US disclosed
US-4100169-A USEFUL AS COLOR FORMERS CIBA-GEIGY CORPORATION (US) 1978-07-11 US disclosed