SCHEMBL9857520

SCHEMBL9857520

COC(=O)COC[C@@H]1O[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL10507659 1.00 TSHR (0.44) TSHRSLC6A4SLC6A3POLBATM
SCHEMBL10507651 1.00 TSHR (0.44) TSHRSLC6A4SLC6A3POLBATM
SCHEMBL10509350 0.81 TSHR (0.43) TSHRATMHTTALDH1A1EPHX1
SCHEMBL9857506 0.81 TSHR (0.43) TSHRATMHTTALDH1A1EPHX1
SCHEMBL10509356 0.81 TSHR (0.43) TSHRATMHTTALDH1A1EPHX1
SCHEMBL10506848 0.81 TSHR (0.42) TSHRPOLBATMALDH1A1
SCHEMBL10506858 0.81 TSHR (0.42) TSHRPOLBATMALDH1A1
SCHEMBL9857686 0.81 TSHR (0.42) TSHRPOLBATMALDH1A1
SCHEMBL6837232 0.81 TSHR (0.49) TSHRPOLBHTTEPHX1ACHE
SCHEMBL8406156 0.81 TSHR (0.49) TSHRPOLBHTTEPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301401-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION, THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-27 EP disclosed
US-4851440-A ASTHMA HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0301401-A2 Leukotriene antagonists, process for their preparation, their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed