SCHEMBL9703296

SCHEMBL9703296

CC(C)(C)c1ccc(Nc2ccccc2C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.42
P2RY14 Q15391 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL17546531 0.88 AKR1C3 (0.45) AKR1C3AKR1C2ABCG2NPC1RAB9A
SCHEMBL8962199 0.86 TDP1 (0.50) P2RY1NPC1RAB9AALDH1A1GLA
SCHEMBL28793668 0.83 PTGER4 (0.42) P2RY1AKR1C3ABCG2NPC1RAB9A
SCHEMBL28698942 0.83 MAPT (0.58) P2RY1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL29499693 0.81 ALDH1A1 (0.48) P2RY1ALDH1A1L3MBTL1GRIN2DGRIN3B
SCHEMBL2818765 0.81 ALDH1A1 (0.48) P2RY1ALDH1A1L3MBTL1GRIN2DGRIN3B
SCHEMBL502051 0.81 AKR1C3 (0.48) AKR1C3AKR1C2NPC1RAB9AALDH1A1
SCHEMBL4901952 0.81 P2RX7 (0.46) AKR1C3AKR1C2ABCG2NPC1RAB9A
SCHEMBL24318836 0.79 P2RX7 (0.45) AKR1C3AKR1C2ABCG2NPC1RAB9A
SCHEMBL15875871 0.79 MAPT (0.65) RAB9AALDH1A1L3MBTL1GAATDP1

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-0480875-A1 Lubricating composition CIBA-GEIGY AG (CH) 1992-04-15 EP disclosed