SCHEMBL24869442

SCHEMBL24869442

CC(C)c1cc(C2CC2)c(C(C)C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
PTGS2 P35354 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
SCHEMBL16736861 0.79 LMNA (0.42) LMNAGABRA1GABRB1PTGS2
SCHEMBL11862411 0.78 LMNA (0.52) LMNAGABRA1GABRB1TP53HTT
SCHEMBL24869447 0.76 EIF4A3 (0.33)
SCHEMBL19997125 0.76 LMNA (0.50) LMNAGABRA1GABRB1
SCHEMBL24511019 0.74 GABRA1 (0.41) LMNAGABRA1GABRB1TP53HTT
SCHEMBL26080932 0.74 PTGDR2 (0.42) LMNAGABRA1GABRB1TP53HTT
SCHEMBL15577019 0.73 CHRNB2 (0.36)
SCHEMBL16736822 0.73 LMNA (0.40) LMNAGABRA1GABRB1
SCHEMBL20259973 0.73 POLB (0.40) HTT
SCHEMBL13818324 0.73 LMNA (0.48) LMNAGABRA1GABRB1TP53HTT

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed