SCHEMBL8099586

SCHEMBL8099586

Nc1ccc(NCC(O)CO)cc1-c1ccco1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
CFTR P13569 4/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 1/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC2 Q92769 1/20 0.33
BLM P54132 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 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
SCHEMBL7808834 0.88 CFTR (0.34) TAAR1ALDH1A1HPGDKDM4ECFTR
SCHEMBL7800700 0.81 KMT2A (0.39) TAAR1ALDH1A1HPGDKDM4ECFTR
SCHEMBL6574224 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10HTTSMN1; SMN2HDAC2
SCHEMBL6572503 0.80 FNTA (0.42) ALDH1A1HSD17B10HTTSMN1; SMN2MAPT
SCHEMBL7812055 0.79 ALDH1A1 (0.41) TAAR1ALDH1A1HPGDKDM4ECFTR
SCHEMBL6572184 0.78 IDH2 (0.33) ALDH1A1MAPTMAPK1IDH2
SCHEMBL6572113 0.77 MAPT (0.36) ALDH1A1MAPTGAAMAPK1POLB
SCHEMBL7461827 0.77 HDAC2 (0.34) HDAC2
SCHEMBL7809853 0.77 TAAR1 (0.36) TAAR1ALDH1A1HPGDKDM4ECFTR
SCHEMBL6570891 0.77 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1ALOX15RECQL

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-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