SCHEMBL9839696

SCHEMBL9839696

OCC1(Oc2ccc(Cl)cc2)COC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ATF4 P18848 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
MMP13 P45452 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.33
WDR91 A4D1P6 1/20 0.33
ABCB11 O95342 1/20 0.33
MAPK1 P28482 1/20 0.33
LIPE Q05469 1/20 0.33
CPT1A P50416 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL15129676 0.82 ALDH1A1 (0.37) HPGDLMNAALDH1A1MMP13RAB9A
SCHEMBL9839182 0.81 ALDH1A1 (0.36) LMNAALDH1A1MEN1KMT2A
SCHEMBL31608981 0.70 MAP4K4 (0.44) HPGDKDM4EALDH1A1ATF4MAPT
SCHEMBL9804270 0.69 SLC6A4 (0.44) ALDH1A1WDR91
SCHEMBL16738423 0.68 ADAMTS4 (0.36) HPGDLMNAALDH1A1HTTMAPT
SCHEMBL29045445 0.68 MMP13 (0.34) MMP13MEN1KMT2AMAOB
SCHEMBL5944957 0.67 MAOB (0.40) LMNAATF4MAPTRAB9AUSP2
SCHEMBL18372576 0.66 SLC6A3 (0.41) ALDH1A1ATF4MMP13ABCB11MEN1
SCHEMBL17653823 0.65 WDR91 (0.61) WDR91MEN1KMT2AMAOB
SCHEMBL3513070 0.64 MAPT (0.34) HTTMAPTUSP2MAPK1MAOB

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-0245792-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC-ACID ESTERS BAYER AG (DE) 1991-06-12 EP disclosed
US-5004569-A Using phosphite containing oxetane groups as esterification catalyst BAYER AKTIENGESELLSCHAFT (DE) 1991-04-02 US disclosed
EP-0245792-A2 Process for the preparation of carboxylic-acid esters BAYER AG (DE) 1987-11-19 EP disclosed
US-4225483-A Boric acid esters and oxetanes for stabilizing phosphite-free polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
EP-0001823-A2 Use of esters of boric acid to stabilize phosphite-free polycarbonates, and the obtained stabilized polycarbonate moulding compositions BAYER AG (DE) 1979-05-16 EP disclosed