SCHEMBL8767202

SCHEMBL8767202

COCCOCOc1ccc(C(=O)CCl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
RARG P13631 3/20 0.47
HPGD P15428 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
RARA P10276 2/20 0.41
RARB P10826 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
IKBKB O14920 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL28292012 0.89 THRA (0.50) HPGDTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6136939 0.78 TAS1R3 (0.53) CTNNB1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL28383737 0.77 THRA (0.49) HPGDTHRATHRBSMN1; SMN2KDM4E
SCHEMBL3639108 0.76 PPARD (0.51) RARGGAATSHRTDP1
SCHEMBL7503071 0.76 MEN1 (0.46) CTNNB1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL13125267 0.75 MRGPRX4 (0.54) HPGDTHRATHRBSMN1; SMN2KDM4E
SCHEMBL3335702 0.74 ATM (0.46) CTNNB1RARGHPGDSMN1; SMN2LMNA
SCHEMBL9673508 0.74 ALDH1A1 (0.54) RARGHPGDSMN1; SMN2LMNATSHR
SCHEMBL8767556 0.74 RARG (0.39) RARGHPGDSMN1; SMN2KDM4ELMNA
SCHEMBL25288063 0.73 TSHR (0.55) RARGRARARARBKDM4ERAB9A

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
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed