SCHEMBL11596409

SCHEMBL11596409

CCN1C(=O)CC(=O)N(c2ccc(S(=O)(=O)O)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
DUSP22 Q9NRW4 1/20 0.34
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
BRD4 O60885 1/20 0.33
CASP6 P55212 1/20 0.33
NT5E P21589 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
SCHEMBL11596639 0.99 ALDH1A1 (0.38) ALDH1A1GAAMAPTCA12CA1
SCHEMBL11655522 0.87 KMT2A (0.39) ALDH1A1GAAMAPTCA12CA1
SCHEMBL11596638 0.86 CA12 (0.36) ALDH1A1GAAMAPTCA12CA1
SCHEMBL11596316 0.85 CYP1A1 (0.36) GAAMAPTCA12CA1CA2
SCHEMBL11596438 0.83 DRD2 (0.36) ALDH1A1GAAMAPTCA12CA1
SCHEMBL11596413 0.82 MAPT (0.40) ALDH1A1GAAMAPTCA12CA1
SCHEMBL5440608 0.80 MAPT (0.50) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL11596272 0.80 ALDH1A1 (0.52) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL11595767 0.79 TSHR (0.47) ALDH1A1GAAMAPTCA12CA1
SCHEMBL5443739 0.79 HPGD (0.46) ALDH1A1GAAMAPTLMNAKMT2A

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