SCHEMBL9747130

SCHEMBL9747130

CC(C)C[C@H](Cl)C(=O)Oc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
PTGS2 P35354 1/20 0.34
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CTRC Q99895 1/20 0.30

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
SCHEMBL9857848 0.83 ELANE (0.43) ELANEPTGS2CTRC
SCHEMBL9679923 0.78 ESR2 (0.41) ELANEPTGS2CTRC
SCHEMBL9802947 0.78 ALOX5 (0.41) ELANEL3MBTL1ALDH1A1
SCHEMBL6201296 0.77 ELANE (0.60) ELANEPTGS2ATML3MBTL1
SCHEMBL9803535 0.76 ACACB (0.45) PTGS2
SCHEMBL9803374 0.74 RARB (0.48)
SCHEMBL9803511 0.74 TAS1R3 (0.49) L3MBTL1
SCHEMBL1978709 0.73 ALOX15 (0.45) ELANEALDH1A1
SCHEMBL9803621 0.72 RARB (0.52) TSHR
SCHEMBL9802921 0.71 RARB (0.54) TSHR

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-5082587-A ACHIRAL FLUORINE-CONTAINING LIQUID CRYSTALS 3M INNOVATIVE PROPERTIES COMPANY 1992-01-21 US disclosed