SCHEMBL10896281

SCHEMBL10896281

CCC(C)(C)c1cc[c]c(Cc2[c]ccc(C(C)(C)CC)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 9/20 0.31
MAOB P27338 4/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15066690 0.80 MAPK1 (0.41) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL55370 0.78 NPC1 (0.40) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL6542188 0.77 NPC1 (0.39) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL3278018 0.77 NPC1 (0.39) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL4468701 0.72 ALDH1A1 (0.34) MAPTMEN1ALDH1A1KMT2A
SCHEMBL3791113 0.71 PDE2A (0.39) MAPK1SMN1; SMN2LMNAATMMAPT
SCHEMBL578291 0.70 NPC1 (0.44) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL5053443 0.69 NPC1 (0.32) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL5110676 0.69 HPGD (0.39) NPC1RAB9ASMN1; SMN2LMNACASP3
SCHEMBL27480853 0.69 NPC1 (0.42) NPC1RAB9AMAPK1SMN1; SMN2LMNA

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
US-4625027-A Bisquinazolines useful in color former systems CIBA-GEIGY CORPORATION (US) 1986-11-25 US disclosed