SCHEMBL5839671

SCHEMBL5839671

COCCNc1ccc(N(CCO)NCCO)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HCAR3 P49019 1/20 0.56
LMNA P02545 3/20 0.53
MAPT P10636 6/20 0.52
RAB9A P51151 2/20 0.52
PTGER4 P35408 1/20 0.52
POLB P06746 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.40
GALR3 O60755 1/20 0.40

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
SCHEMBL109334 0.86 ALDH1A1 (0.77) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL9776299 0.78 HCAR3 (0.64) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL3093532 0.77 HCAR3 (0.60) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL9384489 0.77 ALDH1A1 (0.76) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL29829407 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL109266 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL18075204 0.75 HCAR3 (0.67) ALDH1A1TSHRTDP1HCAR3LMNA
SCHEMBL210589 0.75 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3LMNA
Hydrochloric Acid SCHEMBL454521 0.74 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3LMNA
Hydrochloric Acid SCHEMBL30100543 0.74 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3LMNA

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-7125427-B2 Coloring agent for keratin fibers WELLA AG (DE) 2006-10-24 US disclosed