SCHEMBL11097052

SCHEMBL11097052

CCC(=O)Cl.CCC(=O)OC1CC(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.32
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
MAP3K14 Q99558 1/20 0.32

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
SCHEMBL11095324 0.94 NPC1 (0.36) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1332286 0.94 NPC1 (0.36) CYP19A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6551912 0.81 HSD17B10 (0.39) CYP19A1NPC1
SCHEMBL977159 0.80 MAP3K14 (0.38) CYP19A1NPC1LMNADDB1CRBN
SCHEMBL3805680 0.78 MAP3K14 (0.36) NPC1LMNADDB1CRBNMAP3K14
SCHEMBL7530544 0.78 MAP3K14 (0.39) CYP19A1LMNADDB1CRBNMAP3K14
SCHEMBL2099423 0.77 PRKCA (0.47) CYP19A1NPC1
SCHEMBL1273192 0.77 MAP3K14 (0.35) LMNADDB1CRBNMAP3K14
SCHEMBL9468465 0.77 MAP3K14 (0.35) CYP19A1LMNADDB1CRBNMAP3K14
SCHEMBL10488014 0.77 MAP3K14 (0.35) LMNADDB1CRBNMAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049860-B1 PROCESS FOR THE PREPARATION OF REACTIVE THYROID GLAND HORMONES T3 AND T4 DERIVATIVES THAT ARE CAPABLE OF COUPLING, AND THEIR USE Roche Diagnostics GmbH (DE) 1984-10-03 EP disclosed
EP-0049860-A1 Process for the preparation of reactive thyroid gland hormones T3 and T4 derivatives that are capable of coupling, and their use Roche Diagnostics GmbH (DE) 1982-04-21 EP disclosed