SCHEMBL5315230

SCHEMBL5315230

COC(=O)c1cccc2c3c(ccc12)C=CC3

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSMD14 O00487 1/20 0.38
TRPA1 O75762 3/20 0.38
NR4A2 P43354 4/20 0.38
PTPRC P08575 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CREBBP Q92793 1/20 0.37
PDE4B Q07343 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36

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
SCHEMBL8765443 0.83 TRPA1 (0.48) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL5745460 0.82 NR4A1 (0.44) TSHRALDH1A1HSD17B10TRPA1NR4A2
SCHEMBL70429 0.78 LMNA (0.59) LMNATSHRBRD4ALDH1A1CFTR
SCHEMBL10357490 0.72 LMNA (0.37) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL3230050 0.71 NR4A2 (0.53) LMNATSHRBRD4ALDH1A1CFTR
SCHEMBL19082604 0.71 KDM4E (0.50) LMNATSHRBRD4ALDH1A1CFTR
SCHEMBL19082607 0.71 KDM4E (0.50) LMNATSHRBRD4ALDH1A1CFTR
SCHEMBL29434198 0.70 BRD4 (0.59) LMNATSHRBRD4ALDH1A1CFTR
SCHEMBL70381 0.70 BRD4 (0.59) LMNATSHRBRD4ALDH1A1CFTR
SCHEMBL19212289 0.70 TRPA1 (0.47) LMNATSHRALDH1A1CFTRHSD17B10

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-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO disclosed