SCHEMBL9417262

SCHEMBL9417262

CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KCNK9 Q9NPC2 2/20 0.56
HPSE Q9Y251 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NR1H4 Q96RI1 6/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CREBBP Q92793 1/20 0.52
PPARG P37231 2/20 0.52
KCNK3 O14649 1/20 0.51
TOP1 P11387 1/20 0.51
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL9417240 0.87 L3MBTL1 (0.62) MEN1KMT2AKCNK9HPSENPC1
SCHEMBL3660580 0.86 MEN1 (0.62) MEN1KMT2AKCNK9NPC1RAB9A
SCHEMBL11582597 0.85 L3MBTL1 (0.54) MEN1KMT2APKML3MBTL1ALDH1A1
SCHEMBL5925570 0.84 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7129217 0.83 PTGS1 (0.57) MEN1KMT2AKCNK9SMN1; SMN2NR1H4
SCHEMBL31046595 0.83 AKR1C3 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7701421 0.83 AKR1C3 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30686768 0.82 MEN1 (0.83) MEN1KMT2AKCNK9HPSENPC1
SCHEMBL14195814 0.81 KCNK9 (0.83) MEN1KMT2AKCNK9HPSENPC1
SCHEMBL4652364 0.81 MEN1 (0.56) MEN1KMT2AKCNK9NPC1RAB9A

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
US-5049572-A Leukotriene biosynthesis inhibitors RIKER LABORATORIES, INC. (US) 1991-09-17 US claimed
EP-0286364-B1 Substituted Di-t-Butylphenols RIKER LABORATORIES INC (US) 1994-07-13 EP disclosed
US-5103037-A Inhibitors of leukotriene biosynthesis; antiallergens RIKER LABORATORIES, INC. (US) 1992-04-07 US disclosed
US-5049572-A Leukotriene biosynthesis inhibitors RIKER LABORATORIES, INC. (US) 1991-09-17 US disclosed
EP-0286364-A2 Substituted Di-t-Butylphenols RIKER LABORATORIES, INC. (US) 1988-10-12 EP disclosed