SCHEMBL8939710

SCHEMBL8939710

CC(C)(C)c1cc[c]c(CCCCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAOA P21397 1/20 0.38
SIGMAR1 Q99720 6/20 0.38
MAOB P27338 2/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL860875 0.82 GHSR (0.40) KCNH2ALOX15MEN1KMT2A
SCHEMBL5110676 0.82 HPGD (0.39) L3MBTL1NPC1RAB9A
SCHEMBL11445102 0.81 GHSR (0.42) KCNH2ALOX15MEN1KMT2A
SCHEMBL1775664 0.81 GHSR (0.42) KCNH2ALOX15MEN1KMT2A
SCHEMBL9485874 0.80 GHSR (0.35) ALOX15NPC1RAB9A
SCHEMBL8939760 0.76 MAOA (0.41) L3MBTL1MAOASIGMAR1MAOBIGF1R
SCHEMBL11973370 0.74 ACHE (0.42) L3MBTL1KMT2ANPC1RAB9A
SCHEMBL11396987 0.73 TP53 (0.46) L3MBTL1MAOASIGMAR1MAOBIGF1R
SCHEMBL6294089 0.72 MAOA (0.48) L3MBTL1MAOASIGMAR1MAOB
SCHEMBL4468701 0.72 ALDH1A1 (0.34) ALOX15MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516797-A SUPPRESSING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-05-14 US disclosed
US-5330993-A Immunosuppressive compounds VERTEX PHARMACEUTICALS, INC. (US) 1994-07-19 US disclosed