SCHEMBL13985235

SCHEMBL13985235

CCC(C)(C)c1ccc(Sc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
DHFR P00374 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PTGIR P43119 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3955986 0.94 MCL1 (0.53) MCL1DHFRNPC1RAB9AMAPT
SCHEMBL3625528 0.87 NPC1 (0.52) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL10135453 0.86 MLYCD (0.50) MCL1DHFRNPC1RAB9AMAPT
SCHEMBL2271509 0.84 TSHR (0.52) DHFRNPC1RAB9AMAPTALDH1A1
SCHEMBL13488787 0.84 MCL1 (0.47) MCL1DHFRNPC1RAB9AMAPT
SCHEMBL23506932 0.81 MCL1 (0.45) MCL1DHFRNPC1RAB9AMAPT
SCHEMBL13985068 0.81 MCL1 (0.45) MCL1DHFRNPC1RAB9AMAPT
SCHEMBL19480532 0.80 KIF11 (0.52) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL13488797 0.79 BCHE (0.42) NPC1RAB9AALDH1A1PTGIRTSHR
SCHEMBL779443 0.79 NPC1 (0.58) NPC1RAB9AMAPTSMN1; 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
WO-2009003029-A2 HIGH-TEMPERATURE SPIN-ON TEMPORARY BONDING COMPOSITIONS BREWER SCIENCE INC. (US) 2008-12-31 WO disclosed