SCHEMBL18987199

SCHEMBL18987199

CCCOc1cc2c(cc1C(=O)CCc1ccc(OC)c(NC(=O)[C@@H](N)CC(C)C)c1)SCCO2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CIT O14578 2/20 0.35
LARS1 Q9P2J5 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
AAK1 Q2M2I8 9/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KMT2A Q03164 1/20 0.33
REN P00797 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
SCHEMBL19005959 0.87 KMT2A (0.39) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL18987377 0.86 REN (0.36) TSHRCITLARS1PDE4APDE4B
SCHEMBL19005961 0.86 REN (0.36) TSHRCITLARS1PDE4APDE4B
SCHEMBL18987197 0.82 HDAC1 (0.36) TSHRHDAC1HDAC2KMT2A
SCHEMBL18987365 0.81 CYP19A1 (0.44) TSHRHDAC1HDAC2KMT2A
SCHEMBL18987706 0.81 CTNNB1 (0.41) HDAC1HDAC2KMT2A
SCHEMBL19005960 0.79 REN (0.34) PDE4APDE4BPDE4CPDE4DAAK1
SCHEMBL19005957 0.79 HDAC1 (0.36) TSHRHDAC1HDAC2KMT2A
SCHEMBL19006008 0.75 HDAC1 (0.36) TSHRHDAC1HDAC2KMT2A
SCHEMBL18987392 0.73 LARS1 (0.35) TSHRCITLARS1PDE4APDE4B

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
WO-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO claimed
WO-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed