SCHEMBL9863245

SCHEMBL9863245

COc1cc(C(=O)O)cc(OC)c1OCCCCCc1cc(C)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.42
NR1I2 O75469 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TPMT P51580 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 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
SCHEMBL9200429 0.85 PLAU (0.49) POLBHTTNR1I2CYP3A4CYP2D6
SCHEMBL9862923 0.85 NR1I2 (0.45) TDP1HTTNR1I2CYP3A4CYP2D6
SCHEMBL9863026 0.84 KMT2A (0.48) POLBL3MBTL1MEN1KMT2A
SCHEMBL9863164 0.83 NR1I2 (0.46) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9863009 0.82 CYP3A4 (0.40) POLBTDP1L3MBTL1NR1I2CYP3A4
SCHEMBL9706268 0.82 NR1I2 (0.45) POLBTDP1HTTNR1I2CYP3A4
SCHEMBL9178754 0.82 CYP2D6 (0.57) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9706270 0.80 KDM4E (0.42) TDP1NR1I2CYP3A4CYP2D6MEN1
SCHEMBL10413141 0.80 PLAU (0.51) POLBHTTNR1I2CYP3A4CYP2D6
SCHEMBL11034638 0.80 TP53 (0.55) POLBTDP1HTTTSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed