SCHEMBL27835293

SCHEMBL27835293

CC(C)CCc1ccc(-c2c[nH]c(Cc3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.41
LTA4H P09960 2/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
GSK3B P49841 2/20 0.38
ESR1 P03372 3/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL27835324 0.86 DHODH (0.44) LTA4HNPC1POLBRAB9AGSK3B
SCHEMBL4817896 0.83 DHODH (0.43) LTA4HNPC1POLBRAB9AGSK3B
SCHEMBL27835410 0.83 HSD11B1 (0.49) BRS3NPC1POLBRAB9AGSK3B
SCHEMBL10133074 0.81 NR1H2 (0.44) LTA4HNPC1POLBRAB9AGSK3B
SCHEMBL3856407 0.81 NR1H2 (0.50) LTA4HNPC1POLBRAB9AGSK3B
SCHEMBL26111266 0.81 HSD11B1 (0.49) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL27835288 0.81 HSD11B1 (0.49) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL27835404 0.81 HSD11B1 (0.49) NPC1RAB9ASMN1; SMN2HSD17B10
Ammonia Solution, Strong SCHEMBL27564492 0.80 HRH4 (0.40) BRS3NPC1POLBRAB9AESR1
SCHEMBL3244836 0.79 NPC1 (0.38) LTA4HNPC1POLBRAB9AGSK3B

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
CN-102137953-B Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2014-05-07 CN disclosed
CN-102137953-A Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2011-07-27 CN disclosed