SCHEMBL3920654

SCHEMBL3920654

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C=CC(=O)O)C(=O)OCCCC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
HCAR2 Q8TDS4 4/20 0.56
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NAAA Q02083 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL7154414 0.93 TSHR (0.57) TSHRHCAR2POLBAPEX1HTT
SCHEMBL8029458 0.93 HCAR2 (0.65) TSHRHCAR2ATMALDH1A1NAAA
SCHEMBL8639870 0.93 HCAR2 (0.65) TSHRHCAR2ATMALDH1A1NAAA
SCHEMBL10939210 0.93 HCAR2 (0.65) TSHRHCAR2ATMALDH1A1NAAA
SCHEMBL2133445 0.93 HCAR2 (0.65) TSHRHCAR2ATMALDH1A1NAAA
Fumaric Acid SCHEMBL28170210 0.93 TSHR (0.80) TSHRHCAR2POLBAPEX1HTT
Fumaric Acid SCHEMBL28169722 0.93 TSHR (0.80) TSHRHCAR2POLBAPEX1HTT
Maleic Acid SCHEMBL10792114 0.93 TSHR (0.80) TSHRHCAR2POLBAPEX1HTT
Fumaric Acid SCHEMBL28170212 0.93 TSHR (0.80) TSHRHCAR2POLBAPEX1HTT
SCHEMBL7974634 0.92 TSHR (0.60) TSHRHCAR2POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029090-A1 BLEED-RESISTANT COLORED MICROPARTICLES Ciba Holding Inc. (CH) 2009-03-04 EP disclosed
EP-2029091-A2 BLEED-RESISTANT COLORED MICROPARTICLES AND SKIN CARE COMPOSITIONS COMPRISING THEM The Procter and Gamble Company (US) 2009-03-04 EP disclosed
US-20070287789-A1 Bleed-resistant colored microparticles CIBA SPECIALTY CHEMICALS CORP. 2007-12-13 US disclosed
WO-2007141169-A1 BLEED-RESISTANT COLORED MICROPARTICLES CIBA HOLDING INC. (CH) 2007-12-13 WO disclosed
WO-2007141742-A2 BLEED-RESISTANT COLORED MICROPARTICLES AND SKIN CARE COMPOSITIONS COMPRISING THEM THE PROCTER & GAMBLE COMPANY (US) 2007-12-13 WO disclosed
US-20070286824-A1 Bleed-resistant colored microparticles and skin care compositions comprising them PROCTER & GAMBLE COMPANY, THE 2007-12-13 US disclosed
US-3980602-A STYRENE ANDOR ALKYL METHACRYLATE, ALKYL ACRYLATE, ACRYLIC OR METHACRYLIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-14 US disclosed