SCHEMBL21733627

SCHEMBL21733627

CCOC(=O)C1CC(C)C(c2c(F)c(N(C)Cc3ccc(OC)cc3)cc(C)c2C(F)(F)F)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.31
LMNA P02545 1/20 0.30
CACNA1S Q13698 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HCRTR2 O43614 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
SCHEMBL26268266 0.93 TP53 (0.32) TP53LTB4R2ALDH1A1HCRTR2
SCHEMBL21733838 0.93 TP53 (0.32) TP53LTB4R2ALDH1A1HCRTR2
SCHEMBL26269144 0.85 TP53 (0.31) TP53LTB4R2ALDH1A1
SCHEMBL28493072 0.84 TSPO (0.32) ALDH1A1SMN1; SMN2
SCHEMBL21733488 0.83 TP53 (0.33) TP53LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL21733469 0.83 HCRTR2 (0.31) TP53LTB4R2ALDH1A1HTTSMN1; SMN2
SCHEMBL24854884 0.82 KDM4E (0.32) ALDH1A1KDM4EHPGD
SCHEMBL21733767 0.82 TP53 (0.32) TP53LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL26268592 0.82 ALDH1A1 (0.34) TP53LTB4R2LMNACACNA1SALDH1A1
SCHEMBL21733835 0.81 MAPT (0.37) ALDH1A1KDM4EHPGD

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
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed