SCHEMBL9857686

SCHEMBL9857686

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
PPARG P37231 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10506848 1.00 TSHR (0.42) TSHRL3MBTL1TDP1PPARGMEN1
SCHEMBL10506858 1.00 TSHR (0.42) TSHRL3MBTL1TDP1PPARGMEN1
SCHEMBL10506785 0.95 PPARG (0.48) TSHRPPARGALDH1A1CYP3A4MAPK1
SCHEMBL10506790 0.95 PPARG (0.48) TSHRPPARGALDH1A1CYP3A4MAPK1
SCHEMBL9857538 0.95 PPARG (0.48) TSHRPPARGALDH1A1CYP3A4MAPK1
SCHEMBL27870235 0.82 SMN1; SMN2 (0.41) TSHRTDP1PPARGPOLBALOX15
SCHEMBL10507651 0.81 TSHR (0.44) TSHRPOLBALDH1A1ATM
SCHEMBL9857520 0.81 TSHR (0.44) TSHRPOLBALDH1A1ATM
SCHEMBL10507659 0.81 TSHR (0.44) TSHRPOLBALDH1A1ATM
SCHEMBL9857506 0.78 TSHR (0.43) TSHRL3MBTL1KMT2AALDH1A1HSD17B10

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