SCHEMBL4848717

SCHEMBL4848717

c1ccc2c(c1)Cc1ccc3c4ccccc4c4ccccc4c3c1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
HTR2B P41595 2/20 0.37
POLB P06746 1/20 0.37
SRD5A2 P31213 1/20 0.37
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 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
SCHEMBL4848751 0.83 MAOA (0.50) MAOAKDM4ENPC1MAPTRAB9A
SCHEMBL30403300 0.80 MAOA (0.56) MAOAKDM4ENPC1MAPTRAB9A
SCHEMBL4847777 0.79 HPRT1 (0.50) MAOAKDM4ENPC1MAPTRAB9A
SCHEMBL4852791 0.79 TSHR (0.45) MAOAKDM4ENPC1MAPTRAB9A
SCHEMBL16415809 0.79 CYP3A4 (0.48) MAOAKDM4ENPC1MAPTRAB9A
Triphenylene SCHEMBL21360057 0.78 MAOA (0.59) MAOAKDM4ENPC1MAPTRAB9A
SCHEMBL17954610 0.77 NQO1 (0.40) MAOAKDM4ENPC1MAPTRAB9A
SCHEMBL18845689 0.77 ACHE (0.46) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18845676 0.77 ACHE (0.46) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL867598 0.76 DNMT1 (0.44) MAOAKDM4ENPC1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed