SCHEMBL7114372

SCHEMBL7114372

CCCCCCON(c1ccccc1)c1cccc(N(OCCCCCC)c2ccccc2)c1N(OCCCCCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
LTA4H P09960 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 3/20 0.35
MAPT P10636 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL27361074 0.85 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL28194680 0.85 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL28207803 0.84 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL11447881 0.84 LMNA (0.44) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL28279968 0.83 PLA2G2A (0.48) TSHRALDH1A1LMNATP53
SCHEMBL27932541 0.82 SOAT1 (0.43) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL27376838 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL27382619 0.78 HTR2A (0.39) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL27383200 0.77 PPARG (0.42) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL27362587 0.77 NR5A1 (0.51) NPC1RAB9ASMN1; SMN2TSHRALDH1A1

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-6700058-B2 NANOPARTICULATE SEMICONDUCTOR SENSITIZED WITH A DYE; ORGANIC ELECTROCONDUCTOR IS TRIS(METHOXYPHENYL ETHYLHEXYLOXYPHENYL AMINO)BENZENE COMPOUND WITH MELTING TEMPERATURE LOWER THAN 140 C AND GLASS TRANSITION TEMPERATURE LOWER THAN 60 DEGREES C. SONY INTERNATIONAL (EUROPE) GMBH (DE) 2004-03-02 US claimed