SCHEMBL23401965

SCHEMBL23401965

CCCCc1c(CC(C)C)[nH]n(C(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TYMP P19971 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ DCTPP1 Q9H773 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
SCHEMBL23398697 0.90 — —
SCHEMBL23403459 0.89 TYMP (0.34) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23402457 0.88 GRM5 (0.31) GRM5
SCHEMBL23398703 0.87 TYMP (0.33) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23400643 0.84 TYMP (0.30) TYMP
SCHEMBL23401759 0.83 KDM4E (0.31) KDM4E
SCHEMBL23401064 0.83 KDM5A (0.31) —
SCHEMBL23401812 0.83 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23400482 0.81 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23399171 0.80 NPC1 (0.37) KDM4ENPC1RAB9AFFAR1TYMP

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback