SCHEMBL8940990

SCHEMBL8940990

CC(C)(C)CC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)C)ccc5o4)c4ccccc34)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F2RL3 Q96RI0 4/20 0.42
KDM4E B2RXH2 4/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5708051 0.96 MAPT (0.47) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL29786696 0.90 MAPT (0.52) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL5708046 0.90 MAPT (0.52) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL8940994 0.84 CNR1 (0.43) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL28618111 0.82 MAPT (0.65) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL15257105 0.80 ALDH1A1 (0.42) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL5708053 0.80 CNR1 (0.46) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL8940957 0.79 ESR1 (0.56) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL5708121 0.77 F2RL3 (0.44) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL10256180 0.77 MAPT (0.66) MAPTNPC1RAB9AALDH1A1HPGD

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
US-5518656-A BIS/ALKYLBENZOXAZOLYL/NAPHTHALENE OR 1,5-DIPHENYL-3-STYRYLPYRAZOLINE NIPPON CHEMICAL WORKS CO., LTD. (JP) 1996-05-21 US disclosed