SCHEMBL11549647

SCHEMBL11549647

OCCc1ccc2occ(-c3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ PIN1 Q13526 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ TP53 P04637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL11673765 0.86 POLB (0.50) POLBNPC1PIN1KDM4EMAPT
SCHEMBL11561878 0.85 POLB (0.56) POLBNPC1KDM4EMAPTTDP1
SCHEMBL11550083 0.85 POLB (0.44) POLBNPC1PSMB8GSK3BMEN1
SCHEMBL10366787 0.82 POLB (0.56) POLBNPC1KDM4EMAPTTDP1
SCHEMBL11555994 0.80 GAA (0.54) POLBNPC1KDM4EMAPTTDP1
SCHEMBL10759496 0.79 POLB (0.46) POLBNPC1PIN1KDM4EMAPT
SCHEMBL11739975 0.77 NPC1 (0.62) POLBNPC1PIN1KDM4EMAPT
SCHEMBL1310721 0.76 PTPN1 (0.55) POLBNPC1PIN1KDM4EALDH1A1
SCHEMBL11351034 0.76 ABCC4 (0.57) POLBNPC1KDM4EMAPTTDP1
SCHEMBL10014193 0.75 PIN1 (0.61) POLBNPC1PIN1KDM4EMAPT

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-4153716-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1979-05-08 — — US disclosed
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