SCHEMBL6276084

SCHEMBL6276084

COc1ccc(C=CC(=O)OCC#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ GSK3B P49841 1/20 0.58
▸ F3 P13726 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CASP3 P42574 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL20358071 0.88 LMNA (0.63) LMNATDP1GSK3BF3SMN1; SMN2
SCHEMBL11311620 0.83 LMNA (0.58) LMNATDP1GSK3BF3SMN1; SMN2
SCHEMBL11311651 0.83 LMNA (0.58) LMNATDP1GSK3BF3SMN1; SMN2
SCHEMBL9855983 0.83 LMNA (0.68) LMNATDP1GSK3BF3SMN1; SMN2
SCHEMBL9855976 0.83 LMNA (0.68) LMNATDP1GSK3BF3SMN1; SMN2
4-Methoxy Ethyl Cinnamate SCHEMBL15190 0.81 CA12 (0.71) LMNATDP1GSK3BF3SMN1; SMN2
4-Methoxy Ethyl Cinnamate SCHEMBL434842 0.81 CA12 (0.71) LMNATDP1GSK3BF3SMN1; SMN2
SCHEMBL9413911 0.81 LMNA (0.61) LMNAF3SMN1; SMN2KDM4EGAA
4-Methoxy Ethyl Cinnamate SCHEMBL1056347 0.81 CA12 (0.71) LMNATDP1GSK3BF3SMN1; SMN2
SCHEMBL9413909 0.81 LMNA (0.61) LMNAF3SMN1; SMN2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668948-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2020-06-24 — — EP disclosed
EP-3668947-A1 POLYMERISABLE LC MEDIUM AND POLYMER FILM WITH FLAT OPTICAL DISPERSION Merck Patent GmbH (DE) 2020-06-24 — — EP disclosed
EP-3548585-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2019-10-09 — — EP disclosed
EP-3512921-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2019-07-24 — — EP disclosed
WO-2019034592-A1 POLYMERISABLE LC MEDIUM AND POLYMER FILM WITH FLAT OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2019-02-21 — — WO disclosed
WO-2019034590-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2019-02-21 — — WO disclosed
EP-3423545-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2019-01-09 — — EP disclosed
WO-2018099879-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2018-06-07 — — WO disclosed
EP-3317374-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2018-05-09 — — EP disclosed
WO-2018073459-A2 LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-04-26 — — WO disclosed
WO-2018050608-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2018-03-22 — — WO disclosed
WO-2017001039-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2017-01-05 — — WO disclosed
WO-2016184543-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2016-11-24 — — WO disclosed
WO-2005121234-A2 FLAME RETARDED POLYMER COMPOSITION WITH IMPROVED THERMAL STABILITY SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2005-12-22 — — WO disclosed
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