SCHEMBL9337900

SCHEMBL9337900

COc1ccc(C(=O)C=Cc2ccc(SC)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 2/20 0.79
▸ MAPT P10636 8/20 0.73
▸ LMNA P02545 5/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ POLB P06746 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ MEN1 O00255 5/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ KMT2A Q03164 5/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ MAOB P27338 7/20 0.71
▸ RAB9A P51151 3/20 0.71
▸ MAOA P21397 3/20 0.71
▸ XDH P47989 2/20 0.71
▸ P4HB P07237 1/20 0.71
▸ CALM1 P0DP23 1/20 0.71

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
SCHEMBL19183069 1.00 F3 (0.79) F3MAPTLMNAKDM4EPOLB
SCHEMBL19183068 1.00 F3 (0.79) F3MAPTLMNAKDM4EPOLB
SCHEMBL9337891 1.00 F3 (0.79) F3MAPTLMNAKDM4EPOLB
4,4'-Dimethoxychalcone SCHEMBL978243 0.89 F3 (1.00) F3MAPTLMNAMEN1ALDH1A1
SCHEMBL11815668 0.89 MAPT (0.87) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL11815663 0.89 MAPT (0.87) MAPTLMNAKDM4EPOLBNPSR1
4,4'-Dimethoxychalcone SCHEMBL978242 0.89 F3 (1.00) F3MAPTLMNAMEN1ALDH1A1
SCHEMBL9915661 0.89 MAPT (0.87) MAPTLMNAKDM4EPOLBNPSR1
Hydrochloric Acid SCHEMBL11816321 0.88 MAPT (0.84) MAPTLMNAKDM4EPOLBNPSR1
Hydrochloric Acid SCHEMBL11816315 0.88 MAPT (0.84) MAPTLMNAKDM4EPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP claimed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US claimed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
Send feedback