SCHEMBL9868600

SCHEMBL9868600

COCCNC(=O)COc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.89
CYP2C9 P11712 1/20 0.89
CYP2C19 P33261 1/20 0.89
KDM4E B2RXH2 1/20 0.68
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
HPGD P15428 8/20 0.65
TSHR P16473 2/20 0.65
NPC1 O15118 2/20 0.64
USP2 O75604 1/20 0.64
RECQL P46063 2/20 0.63
PTPN1 P18031 1/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 1/20 0.58
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
RAB9A P51151 1/20 0.55

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
Hydrochloric Acid SCHEMBL9867897 0.98 CYP1A2 (0.86) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL17621161 0.86 HPGD (0.74) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL10090174 0.84 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL10436863 0.84 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL10475269 0.83 RECQL (0.71) CYP1A2CYP2C9CYP2C19KDM4EHPGD
SCHEMBL10436951 0.83 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL27638118 0.83 CYP3A4 (0.72) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL14759044 0.83 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL6431749 0.83 CYP3A4 (0.72) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL8184182 0.83 RECQL (0.70) CYP1A2CYP2C9CYP2C19KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445920-A2 Use of ethoxy phenoxy acetic acid derivatives against diabetes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP disclosed
EP-0445920-A2 Use of ethoxy phenoxy acetic acid derivatives against diabetes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP disclosed