SCHEMBL10398453

SCHEMBL10398453

CCOC(=O)c1ccc(NCC(C)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
RAB9A P51151 6/20 0.57
HPGD P15428 2/20 0.56
RECQL P46063 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 1/20 0.54
ESR1 P03372 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
ESR2 Q92731 1/20 0.54
CA14 Q9ULX7 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54

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
SCHEMBL6373144 0.89 MAPT (0.59) MAPTRAB9AHPGDRECQLCA1
SCHEMBL6269719 0.84 MAPT (0.66) MAPTRAB9AHPGDRECQLCA1
SCHEMBL29200974 0.84 MAPT (0.66) MAPTRAB9AHPGDRECQLCA1
SCHEMBL31317787 0.84 MAPT (0.58) MAPTRAB9AHPGDRECQLCA1
SCHEMBL9804183 0.83 HPGD (0.63) MAPTRAB9AHPGDRECQLCA1
SCHEMBL3083718 0.83 HPGD (0.63) MAPTRAB9AHPGDRECQLCA1
SCHEMBL11351271 0.82 MAPT (0.53) MAPTRAB9AHPGDRECQLCA1
SCHEMBL6269715 0.81 MAPT (0.55) MAPTRAB9AHPGDRECQLCA1
SCHEMBL7101006 0.80 MAPT (0.60) MAPTRAB9AHPGDRECQLCA1
SCHEMBL12652047 0.80 HPGD (0.59) MAPTRAB9AHPGDRECQLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO disclosed
US-4925653-A Sunscreen composition containing polyisobutylene and its use for the protection of human epidermis against ultraviolet radiations L'OREAL (FR) 1990-05-15 US disclosed
US-4804531-A Cosmetic screening composition containing a UV screen in combination with a polymer obtained by block polymerization in emulsion and its use for the protection of the human epidermis against ultraviolet radiations L'OREAL (FR) 1989-02-14 US disclosed
US-4668505-A Sunscreen method containing polyisobutylene for the protection of human epidermis against ultraviolet radiations L'OREAL (FR) 1987-05-26 US disclosed