SCHEMBL22201779

SCHEMBL22201779

CCOC1CC2CC(COC(=O)Cc3ccccc3)C1O2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PAM P19021 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.35
PPM1B O75688 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL22201778 0.80 BCHE (0.40) TSHR
SCHEMBL22201708 0.77 MGLL (0.43) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL22201769 0.68 MGLL (0.47) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL1873977 0.68 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMKMT2A
SCHEMBL1332625 0.68 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMKMT2A
SCHEMBL112999 0.68 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMKMT2A
Benzene SCHEMBL28160801 0.68 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMKMT2A
SCHEMBL19020350 0.67 CYP19A1 (0.53) MGLLALDH1A1MAPK1L3MBTL1PAM
Ammonia Solution, Strong SCHEMBL27681752 0.66 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMKMT2A
Hydrochloric Acid SCHEMBL28243605 0.66 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1PAMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed