SCHEMBL6933320

SCHEMBL6933320

CNC(=N)NCCCCCCOC(=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 5/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
NAAA Q02083 1/20 0.48
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALOX5 P09917 1/20 0.43
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 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
SCHEMBL6415818 1.00 TDP1 (0.58) TDP1TSHRALDH1A1LMNANAAA
SCHEMBL6414111 0.99 TDP1 (0.60) TDP1TSHRALDH1A1LMNANAAA
SCHEMBL6414205 0.95 TDP1 (0.61) TDP1TSHRALDH1A1LMNANAAA
SCHEMBL6410572 0.90 TDP1 (0.56) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL6407789 0.85 TDP1 (0.51) TDP1TSHRALDH1A1LMNAL3MBTL1
SCHEMBL6410350 0.85 TDP1 (0.51) TDP1TSHRALDH1A1LMNAL3MBTL1
SCHEMBL6408629 0.85 TDP1 (0.61) TDP1TSHRALDH1A1LMNANAAA
SCHEMBL6415505 0.85 TDP1 (0.61) TDP1TSHRALDH1A1LMNANAAA
SCHEMBL6939282 0.83 TDP1 (0.59) TDP1TSHRALDH1A1LMNANAAA
SCHEMBL6411581 0.83 TDP1 (0.59) TDP1TSHRALDH1A1LMNANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO disclosed