SCHEMBL14531985

SCHEMBL14531985

BC[C@H](O)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASR P41180 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6055146 0.83 PDE2A (0.43) TP53TDP1TRPA1LMNACHRM1
SCHEMBL20342536 0.83 PDE2A (0.43) TP53TDP1TRPA1LMNACHRM1
SCHEMBL8422202 0.82 TP53 (0.40) TP53TDP1TRPA1LMNACHRM1
SCHEMBL6055266 0.80 PDE5A (0.40) TP53TDP1TRPA1LMNACHRM1
SCHEMBL12630806 0.79 SLC6A2 (0.41) TP53TDP1TRPA1LMNACHRM1
SCHEMBL6055394 0.79 PDE5A (0.46) TP53TDP1TRPA1LMNACHRM1
SCHEMBL9082794 0.79 TP53 (0.38) TP53TDP1TRPA1LMNACHRM1
SCHEMBL9685032 0.78 TDP1 (0.48) TP53TDP1TRPA1LMNACHRM1
SCHEMBL8756974 0.78 TDP1 (0.48) TP53TDP1TRPA1LMNACHRM1
SCHEMBL16071368 0.77 PDE5A (0.51) TP53TDP1TRPA1LMNACHRM1

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-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — WO disclosed
Send feedback