SCHEMBL4645333

SCHEMBL4645333

CCC[CH]C(=O)Oc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
ESR1 P03372 2/20 0.42
TSHR P16473 2/20 0.42
ELANE P08246 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 4/20 0.42
NR5A1 Q13285 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4642186 0.85 THRB (0.45) THRBLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4644237 0.85 ELANE (0.44) THRBESR1TSHRELANELMNA
SCHEMBL4647636 0.84 NQO1 (0.50) THRBLMNACYP1A2LTA4HALDH1A1
SCHEMBL4646065 0.84 MGLL (0.49) THRBLMNACYP1A2MAPK1CYP2C19
SCHEMBL6247098 0.83 ZDHHC2 (0.48) THRBELANEALDH1A1TDP1MEN1
SCHEMBL4646694 0.82 KMT2A (0.53) THRBLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4643737 0.81 MEN1 (0.44) THRBESR1TSHRNR1H2CA12
SCHEMBL4644818 0.80 CYP3A4 (0.57) ESR1LMNAMEN1KMT2ABCHE
SCHEMBL4641285 0.80 MGLL (0.54) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL4641483 0.77 MAPT (0.57) THRBESR1TSHRLMNACYP1A2

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