SCHEMBL7808476

SCHEMBL7808476

Nc1ccc(N(CC(O)CO)CC(O)CO)cc1-c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.36
CETP P11597 4/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 3/20 0.33
BLM P54132 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMARCA2 P51531 1/20 0.32
PBRM1 Q86U86 1/20 0.32

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
SCHEMBL7808836 0.88 CFTR (0.37) CFTRCETPALDH1A1KDM4EHSD17B10
SCHEMBL7809772 0.81 ADORA2A (0.39) CFTRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL7466411 0.77 CSNK2A1 (0.32) CETPHDAC2
SCHEMBL7800690 0.77 TAAR1 (0.36) CFTRCETPALDH1A1KDM4EHSD17B10
SCHEMBL7808834 0.75 CFTR (0.34) CFTRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL7800617 0.74 KCNH2 (0.37) CETPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7807501 0.74 CDK2 (0.30)
SCHEMBL8099586 0.74 TAAR1 (0.34) CFTRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL7812056 0.74 CFTR (0.39) CFTRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL7809836 0.73 CFTR (0.42) CFTRALDH1A1KDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed