SCHEMBL9705709

SCHEMBL9705709

COC(=O)c1cc(Cl)c(OCCCCCc2cc(C)no2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.38
LMNA P02545 2/20 0.37
ESR1 P03372 1/20 0.37
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
VCAM1 P19320 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.34
APLNR P35414 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
SCHEMBL9705949 0.90 TPMT (0.39) MAPTALDH1A1PKMESR1NR1I2
SCHEMBL9705669 0.89 CYP2D6 (0.41) MAPTMAPK1ALDH1A1NR1I2CYP3A4
SCHEMBL9705786 0.87 ALDH1A1 (0.43) MAPTPOLBMAPK1ALDH1A1PKM
SCHEMBL9705738 0.84 KDM4E (0.41) POLBALDH1A1LMNANR1I2CYP3A4
SCHEMBL9200429 0.78 PLAU (0.49) POLBNR1I2CYP3A4CYP2D6KDM4E
SCHEMBL9436198 0.78 LMNA (0.42) MAPTALDH1A1LMNANR1I2CYP3A4
SCHEMBL9705985 0.76 NR1I2 (0.34) NR1I2CYP3A4CYP2D6
SCHEMBL9862957 0.76 CYP3A4 (0.44) MAPTPOLBMAPK1ESR1NR1I2
SCHEMBL8875953 0.76 NR1I2 (0.55) MAPTMAPK1ALDH1A1LMNANR1I2
SCHEMBL9706268 0.76 NR1I2 (0.45) POLBALDH1A1NR1I2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
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
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed