SCHEMBL4642389

SCHEMBL4642389

COc1cc(C=O)ccc1OC(=O)CCl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.71
ALDH1A1 P00352 8/20 0.62
TSHR P16473 1/20 0.62
FDPS P14324 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
AOX1 Q06278 1/20 0.53
TRIM24 O15164 1/20 0.53
HPGD P15428 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53

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
SCHEMBL11559178 0.94 TOP2A (0.63) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL4645154 0.88 TOP2A (0.61) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL4090523 0.88 ALDH1A1 (0.66) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL891572 0.86 FGFR1 (0.65) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL4645057 0.86 ALDH1A1 (0.64) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL4643325 0.86 TOP2A (0.59) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL28660523 0.85 TOP2A (0.76) TOP2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL28660525 0.85 TOP2A (0.76) TOP2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4643932 0.85 ALDH1A1 (0.62) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL31756896 0.85 TOP2A (0.63) TOP2AALDH1A1TSHRFDPSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
CN-1192776-A Betaine esters capable of liberating alcohols PROCTER & GAMBLE (US) 1998-09-09 CN disclosed
EP-0752465-A1 Betaine esters for delivery of alcohols THE PROCTER & GAMBLE COMPANY (US) 1997-01-08 EP disclosed
WO-1996038528-A1 BETAINE ESTERS FOR DELIVERY OF ALCOHOLS THE PROCTER & GAMBLE COMPANY (US) 1996-12-05 WO disclosed