SCHEMBL9130725

SCHEMBL9130725

COC(=O)c1ccc2nc(-c3ccc(C(C)(C)C)cc3)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.74
MMP2 P08253 1/20 0.67
MMP9 P14780 1/20 0.67
MMP8 P22894 1/20 0.67
MMP13 P45452 1/20 0.67
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 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
TRPV1 Q8NER1 1/20 0.60
ATM Q13315 1/20 0.58
HTT P42858 1/20 0.57

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
SCHEMBL14115807 0.92 MMP2 (0.65) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL20982471 0.91 MMP2 (0.78) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL9130717 0.90 ALDH1A1 (0.62) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL19982668 0.89 CHEK2 (0.67) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL3168287 0.86 HDAC6 (0.76) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL19763371 0.86 CHEK2 (0.72) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL18229534 0.85 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8
SCHEMBL19747752 0.85 MMP2 (0.70) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL2617479 0.85 KDM4E (0.71) HDAC6MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL19739317 0.84 MMP2 (0.68) HDAC6MMP2MMP9MMP8MMP13

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