SCHEMBL4644476

SCHEMBL4644476

COc1cc(C=O)ccc1OC(=O)CCCCCl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.58
FDPS P14324 1/20 0.55
ALDH1A1 P00352 7/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2C9 P11712 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4643325 0.96 TOP2A (0.59) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL31756896 0.93 TOP2A (0.63) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL27603749 0.92 TOP2A (0.65) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL4645154 0.91 TOP2A (0.61) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL31096971 0.90 ALDH1A1 (0.62) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL891408 0.88 TOP2A (0.72) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL4641934 0.88 TOP2A (0.58) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL4090523 0.87 ALDH1A1 (0.66) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL891191 0.87 TOP2A (0.74) TOP2AFDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL891656 0.87 TOP2A (0.74) TOP2AFDPSALDH1A1TSHRSMN1; SMN2

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-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