SCHEMBL9130717

SCHEMBL9130717

COC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.62
NFKB1 P19838 1/20 0.62
RAB9A P51151 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RHEB Q15382 1/20 0.61
HDAC6 Q9UBN7 2/20 0.61
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
KIF11 P52732 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL9130725 0.90 HDAC6 (0.74) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL29906102 0.90 KDM4E (0.75) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL25318263 0.90 KDM4E (0.75) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL31027943 0.86 HDAC6 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL9130957 0.86 HDAC6 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL21705329 0.85 HDAC6 (0.60) HDAC6
SCHEMBL31027922 0.85 HDAC6 (0.60) HDAC6
SCHEMBL29893466 0.85 TNKS (0.64) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL3222740 0.85 KDM4E (0.71) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL20982713 0.84 KDM4E (0.75) ALDH1A1KDM4ELMNAHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428052-A Classifiable as retinoids; skin disorders, corneopathy CENTRE INTERNATIONALE DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1995-06-27 US disclosed
US-5288744-A Tetramethyltetrahydronaphthyl benzothiazole for treating skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1994-02-22 US disclosed
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 US disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 US disclosed