SCHEMBL22402532

SCHEMBL22402532

CC(C)C(c1ccc(C(F)(F)F)cc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.47
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ACP3 P15309 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KIF11 P52732 2/20 0.37
▸ HSD11B1 P28845 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
SCHEMBL25502574 0.82 PDE2A (0.50) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL19772099 0.80 PDE2A (0.48) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL19772091 0.80 PDE2A (0.48) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL16230724 0.80 PDE2A (0.48) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL23060228 0.77 PDE2A (0.46) PDE2ACES2CES1ACP3ALDH1A1
SCHEMBL13328621 0.77 PDE2A (0.50) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL12086293 0.77 PDE2A (0.50) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL13110238 0.77 PDE2A (0.46) PDE2ACES2CES1ACP3ALDH1A1
SCHEMBL26299730 0.77 PDE2A (0.50) PDE2ACES2CES1ACP3AKR1C3
SCHEMBL19368215 0.77 AOC3 (0.38) ALDH1A1HSD11B1

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-20200283574-A1 CROSSLINKABLE FLUORINATED POLY(ARYLENE ETHER) SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2020-09-10 — — US disclosed
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