SCHEMBL25752511

SCHEMBL25752511

CCC(C)(c1ccc(C)cc1)c1ccc(OC#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ACHE P22303 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AR P10275 2/20 0.32
CYP2A6 P11509 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
SCHEMBL11657770 0.93 NPC1 (0.37) NPC1MAPTRAB9A
SCHEMBL24604229 0.83 ALDH1A1 (0.35) TSHRNPC1MAPTRAB9AKCNH2
SCHEMBL20133387 0.80 MAPT (0.50) TSHRNPC1MAPTRAB9AACHE
SCHEMBL19200293 0.80 TSHR (0.55) TSHRNPC1MAPTRAB9AACHE
SCHEMBL764016 0.80 ACHE (0.48) TSHRNPC1MAPTRAB9AACHE
SCHEMBL15224746 0.79 ALDH1A1 (0.33) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL12156568 0.79 ACHE (0.58) TSHRNPC1MAPTRAB9AACHE
SCHEMBL27004768 0.79 NPC1 (0.53) NPC1MAPTRAB9A
SCHEMBL15224665 0.77 ESR1 (0.36) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL15224674 0.76 NPC1 (0.35) NPC1MAPTRAB9A

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-3929263-B1 METHOD FOR PREPARING HEAT-RESISTANT STRUCTURAL EPOXY ADHESIVE COMPOSITION HAVING IMPACT RESISTANCE AND STRUCTURAL EPOXY ADHESIVE COMPOSITION USING SAME NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-07-05 EP disclosed