SCHEMBL11458495

SCHEMBL11458495

O=C(O)c1ccc(-c2coc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.56
MAOB P27338 2/20 0.50
TNKS O95271 1/20 0.50
PTPN1 P18031 2/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
MIF P14174 1/20 0.47
RAB9A P51151 1/20 0.44
TTR P02766 2/20 0.43
MAP2K4 P45985 1/20 0.43
CAMKK2 Q96RR4 1/20 0.42
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
PIN1 Q13526 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL11361503 0.84 GSK3B (0.64) GSK3BPTPN1NPC1POLBRAB9A
SCHEMBL11354983 0.84 GSK3B (0.64) GSK3BPTPN1NPC1POLBRAB9A
SCHEMBL8443280 0.83 KMO (0.53) GSK3BMAOBPTPN1NPC1POLB
SCHEMBL11623160 0.82 PIN1 (0.55) GSK3BNPC1POLBRAB9ATTR
SCHEMBL11620715 0.82 POLB (0.59) GSK3BNPC1POLBRAB9ATTR
SCHEMBL1310425 0.82 PIN1 (0.56) MAOBPTPN1NPC1POLBMIF
SCHEMBL11454115 0.80 ABCC4 (0.54) MAOBPTPN1NPC1POLBMIF
SCHEMBL10760429 0.78 GSK3B (0.68) GSK3BMAOBNPC1POLBRAB9A
SCHEMBL10760436 0.78 GSK3B (0.57) GSK3BMAOBNPC1POLBRAB9A
SCHEMBL7507706 0.77 MIF (0.46) GSK3BMAOBPTPN1NPC1POLB

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-4212865-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1980-07-15 US disclosed
US-4190590-A DISINFECTING AND STERILIZING DENTAL AND MEDICAL EQUIPMENT RIKER LABORATORIES, INC. (US) 1980-02-26 US disclosed
US-4124602-A OPTIONALLY SUBSTITUTED 3-(CYANOPHENYL)BENZOFURANS RIKER LABORATORIES, INC. (US) 1978-11-07 US disclosed
US-4048323-A Antimicrobial (2-nitro-3-benzofuranyl)-benzoic acids RIKER LABORATORIES, INC. (US) 1977-09-13 US disclosed