SCHEMBL6204038

SCHEMBL6204038

CC(C)(C)c1ccc2c(c1)C(=O)C(Br)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ACHE P22303 4/20 0.40
CYP19A1 P11511 1/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA9 Q16790 2/20 0.34
METAP1 P53582 2/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL7704655 0.81 ACHE (0.62) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29979893 0.81 ACHE (0.62) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6974545 0.77 ACHE (0.66) ACHECYP19A1CA9METAP1CA1
SCHEMBL17675410 0.75 METAP1 (0.44) L3MBTL1ACHECYP19A1CYP1A2CA9
SCHEMBL6253409 0.75 TDP2 (0.49) ACHEHTR2AHTR2CHTR2B
SCHEMBL8601608 0.74 METAP1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8874748 0.74 METAP1 (0.45) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL7847032 0.74 METAP1 (0.43) ACHECYP19A1METAP1HTR2AHTR2C
SCHEMBL1180262 0.73 ACHE (0.69) ALDH1A1ACHECYP19A1METAP1HTR2A
SCHEMBL6205723 0.72 PNMT (0.40) ACHE

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-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed