SCHEMBL11596272

SCHEMBL11596272

CCN1C(=O)CC(=O)N(c2ccc(S(=O)(=O)O)cc2C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 5/20 0.42
CASP6 P55212 1/20 0.42
MEN1 O00255 4/20 0.41
BRD4 O60885 1/20 0.37
POLB P06746 3/20 0.37
AKR1C3 P42330 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RORC P51449 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11596409 0.80 ALDH1A1 (0.38) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11596639 0.79 ALDH1A1 (0.38) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11596438 0.78 DRD2 (0.36) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11596278 0.73 CYP1A1 (0.38) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11655522 0.70 KMT2A (0.39) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11596638 0.69 CA12 (0.36) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL10349859 0.68 ALDH1A1 (0.52) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL3658575 0.68 ALDH1A1 (0.55) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11596434 0.68 MAPT (0.36) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11596316 0.68 CYP1A1 (0.36) MAPTGAALMNAKMT2AMEN1

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-4078933-A OXONOL DYE FUJI PHOTO FILM CO., LTD. (JA) 1978-03-14 US disclosed