SCHEMBL9857538

SCHEMBL9857538

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
EGFR P00533 10/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL10506785 1.00 PPARG (0.48) PPARGTSHRALDH1A1LMNATP53
SCHEMBL10506790 1.00 PPARG (0.48) PPARGTSHRALDH1A1LMNATP53
SCHEMBL9857686 0.95 TSHR (0.42) PPARGTSHRALDH1A1LMNATP53
SCHEMBL10506848 0.95 TSHR (0.42) PPARGTSHRALDH1A1LMNATP53
SCHEMBL10506858 0.95 TSHR (0.42) PPARGTSHRALDH1A1LMNATP53
SCHEMBL28056365 0.83 ALDH1A1 (0.44) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL10507659 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL10507651 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL9857520 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL27870235 0.77 SMN1; SMN2 (0.41) PPARGTSHRALDH1A1CHRM2CHRM4

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