SCHEMBL9716941

SCHEMBL9716941

Cc1ccc2c(c1)C(C)(C)C(C)C(C=O)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
CCR2 P41597 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ACHE P22303 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
SCHEMBL5401929 0.82 THRB (0.36) KMT2ACCR2MEN1MAPTHTT
SCHEMBL5401919 0.82 THRB (0.36) KMT2ACCR2MEN1MAPTHTT
SCHEMBL5401924 0.82 THRB (0.36) KMT2ACCR2MEN1MAPTHTT
SCHEMBL1468020 0.74 RXRA (0.39) KMT2ACCR2MEN1MAPTHTT
SCHEMBL29870908 0.74 RXRA (0.39) KMT2ACCR2MEN1MAPTHTT
SCHEMBL29871012 0.72 CCR2 (0.39) KMT2ACCR2KDM4EMEN1MAPT
SCHEMBL3987004 0.72 CCR2 (0.39) KMT2ACCR2KDM4EMEN1MAPT
SCHEMBL9398525 0.68 KMT2A (0.33) KMT2ACCR2
SCHEMBL3169625 0.66 HTR2C (0.35) KMT2ACCR2MEN1MAPTHTT
SCHEMBL9211974 0.63 RARG (0.40) KMT2ACCR2MEN1MAPTHTT

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-0301375-B1 BICYCLIC ALDEHYDES L. GIVAUDAN & CIE Société Anonyme (CH) 1992-03-18 EP disclosed