SCHEMBL4981071

SCHEMBL4981071

CCCCC(O)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARG P37231 2/20 0.40
POLB P06746 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NAAA Q02083 1/20 0.37
CSNK1E P49674 1/20 0.37

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
SCHEMBL6690451 0.94 TSHR (0.52) TSHRGABRA1GABRB2ALDH1A1PPARG
SCHEMBL30714953 0.94 TSHR (0.52) TSHRGABRA1GABRB2ALDH1A1PPARG
SCHEMBL8517638 0.92 TSHR (0.50) TSHRGABRA1GABRB2ALDH1A1PPARG
SCHEMBL22444751 0.92 TSHR (0.50) TSHRGABRA1GABRB2ALDH1A1PPARG
SCHEMBL22444754 0.92 TSHR (0.50) TSHRGABRA1GABRB2ALDH1A1PPARG
SCHEMBL4146572 0.92 TSHR (0.50) TSHRGABRA1GABRB2ALDH1A1PPARG
SCHEMBL4738271 0.90 TSHR (0.55) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL8216569 0.87 ALDH1A1 (0.46) TSHRLMNAALDH1A1KDM4EPPARG
SCHEMBL5792353 0.85 TSHR (0.50) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL9757096 0.85 TSHR (0.55) TSHRGABRA1GABRB2LMNAALDH1A1

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-1858492-B1 ORAL OSMOTIC DOSAGE FORM HAVING A HIGH FLUX MEMBRANE ALZA CORP (US) 2008-11-12 EP claimed
EP-0160258-B1 (6,11-DIHYDRO-11-OXODIBENZ(BM,E)OXEPINYL)PENTANOLS, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-27 EP disclosed
EP-0160258-A2 (6,11-Dihydro-11-oxodibenz(bm,e)oxepinyl)pentanols, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-11-06 EP disclosed