SCHEMBL21246920

SCHEMBL21246920

COc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.70
RAB9A P51151 2/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
MAPK1 P28482 1/20 0.70
KMT2A Q03164 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HPGD P15428 1/20 0.70
CES2 O00748 2/20 0.64
CES1 P23141 2/20 0.64
ALDH1A1 P00352 1/20 0.63
GAA P10253 1/20 0.63
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
NPC1 O15118 2/20 0.61
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61

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
SCHEMBL9418310 0.93 RXFP1 (0.79) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL51509 0.93 RXFP1 (0.79) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL18545953 0.92 CES2 (0.69) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL12341716 0.92 LMNA (0.61) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL10093719 0.92 LMNA (0.61) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL2998614 0.92 CES2 (0.69) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL21679502 0.90 RAB9A (0.89) RXFP1RAB9AMEN1LMNAMAPT
Ethyne SCHEMBL8195983 0.88 RXFP1 (0.73) RXFP1RAB9AMEN1LMNAMAPT
Anisole SCHEMBL27657177 0.88 CES2 (0.58) RXFP1RAB9AMEN1LMNAMAPT
SCHEMBL24489353 0.87 CES2 (0.62) RXFP1RAB9AMEN1LMNAMAPT

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
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
CN-111094557-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
CN-111433357-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
CN-111433357-A Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2020-07-17 CN disclosed
WO-2019153634-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHESIS OF BIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
WO-2019153632-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHEISIS OF DIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
WO-2019153633-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHEISIS OF DIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN disclosed