SCHEMBL11615277

SCHEMBL11615277

CC(C(=O)O)c1ccc(N2C(=O)C3CCCCC3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
PTGS1 P23219 8/20 0.48
PTGS2 P35354 7/20 0.48
MT-CO1 P00395 1/20 0.48
MT-CO2 P00403 1/20 0.48
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
OPRK1 P41145 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6784295 0.80 SMN1; SMN2 (0.46) GAAKMT2APTGS1PTGS2MT-CO1
SCHEMBL11615140 0.80 PPOX (0.43) GAAKMT2APTGS1PTGS2MT-CO1
SCHEMBL6790912 0.76 CA12 (0.56) GAAKMT2AL3MBTL1POLBPTGS1
SCHEMBL6788274 0.74 MGLL (0.65) GAAKMT2APTGS1PTGS2MEN1
SCHEMBL13265283 0.74 LMNA (0.59) ALDH1A1GAAHPGDKMT2APOLB
SCHEMBL5645885 0.74 ALDH1A1 (0.58) ALDH1A1GAAHPGDKMT2AL3MBTL1
SCHEMBL6790452 0.73 CCNA2 (0.56) GAAKMT2APTGS1PTGS2MT-CO1
SCHEMBL10038048 0.73 ALDH1A1 (0.64) ALDH1A1GAAHPGDKMT2AL3MBTL1
SCHEMBL11421692 0.73 ALDH1A1 (0.64) ALDH1A1GAAHPGDKMT2AL3MBTL1
SCHEMBL8114805 0.73 KMT2A (0.45) ALDH1A1GAAHPGDKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4116972-A ANTI-INFLAMMATORY 1-OXO-ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION FUJI CHEMICAL INDUSTRY COMPANY LIMITED (JP) 1978-09-26 US disclosed