SCHEMBL4645797

SCHEMBL4645797

[CH2]CCC(=O)Oc1ccc(C(=O)OCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.55
TSHR P16473 3/20 0.55
ESR1 P03372 3/20 0.55
SLC6A2 P23975 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CHRM1 P11229 1/20 0.55
KDR P35968 1/20 0.55
STS P08842 3/20 0.54
LMNA P02545 5/20 0.53
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
THRB P10828 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 2/20 0.50
SLC22A2 O15244 1/20 0.50
TMPRSS2 O15393 1/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50

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
SCHEMBL4641487 0.93 MAPT (0.58) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL10600799 0.91 ALDH1A1 (0.62) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL7754276 0.89 ALDH1A1 (0.60) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL10598323 0.88 TSHR (0.58) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL4647749 0.88 KMT2A (0.62) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL4642615 0.87 MAPT (0.57) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL4645520 0.85 MAPT (0.56) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL26153358 0.84 ALDH1A1 (0.62) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL4641659 0.84 MAPT (0.54) KMT2AMAPTALDH1A1TSHRESR1
SCHEMBL1615175 0.84 KMT2A (0.58) KMT2AMAPTALDH1A1TSHRESR1

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