SCHEMBL23967969

SCHEMBL23967969

Cc1ccc(-c2ccc(C)c(C)c2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.38
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
ALPL P05186 1/20 0.36
CA9 Q16790 1/20 0.36
ELANE P08246 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL31547677 0.84 TDP1 (0.52) MAPTGAATDP1ALDH1A1TP53
SCHEMBL3043421 0.84 TDP1 (0.52) MAPTGAATDP1ALDH1A1TP53
SCHEMBL25878367 0.82 TRPA1 (0.50) MAPTGAATDP1ALDH1A1TP53
SCHEMBL31673873 0.82 POLB (0.55) MAPTALDH1A1POLBTDP2NSD2
SCHEMBL23854312 0.82 POLB (0.55) MAPTALDH1A1POLBTDP2NSD2
SCHEMBL16378659 0.80 TDP1 (0.37) MAPTGAATDP1ALDH1A1TP53
SCHEMBL16852393 0.80 GRM2 (0.37) TDP1ALDH1A1TP53POLBTDP2
SCHEMBL20076409 0.80 LMNA (0.50) MAPTGAATDP1ALDH1A1TP53
SCHEMBL29038580 0.79 MAPT (0.48) MAPTGAATDP1ALDH1A1TP53
SCHEMBL26968681 0.74 LMNA (0.54) MAPTGAATDP1ALDH1A1TP53

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-3481916-B1 ELECTRONIC SWITCH MERCK PATENT GMBH (DE) 2021-11-03 EP disclosed