SCHEMBL17149151

SCHEMBL17149151

Cc1cc(-c2ccc(CCC(C)C)cc2)cc(C)c1SC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
MMP12 P39900 3/20 0.32
MMP13 P45452 2/20 0.32
RARB P10826 1/20 0.31
ADRB3 P13945 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BRS3 P32247 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30

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
SCHEMBL17149163 0.84 MEN1 (0.41) RARBADRB3
SCHEMBL17149192 0.83 NOS3 (0.33)
SCHEMBL17149196 0.75 PPARG (0.40) MMP12RARBHRH3
SCHEMBL17149157 0.75 LMNA (0.38)
SCHEMBL25520634 0.72 SMN1; SMN2 (0.36) MMP12MMP13ADRB3HRH3
SCHEMBL8080450 0.71 HTT (0.41)
SCHEMBL24141070 0.70 MMP12 (0.53) MMP12MMP13
SCHEMBL25833313 0.70 MEN1 (0.44) RARBADRB3HRH3
SCHEMBL14672109 0.69 MAOB (0.53)
SCHEMBL28856310 0.69 ESR1 (0.52)

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
US-9815997-B2 Organic electroluminescence device and ink composition IDEMITSU KOSAN CO., LTD. (JP) 2017-11-14 US disclosed
US-20150284580-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND INK COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed