SCHEMBL9623920

SCHEMBL9623920

C=C(C)C(=O)OC(Oc1ccccc1)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
ELANE P08246 1/20 0.39
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2859020 0.84 MTNR1A (0.42) MTNR1AMTNR1BELANEHPGDMAPT
SCHEMBL22417559 0.82 MTNR1A (0.43) MTNR1AMTNR1BELANEHPGDMAPT
SCHEMBL17351289 0.79 ELANE (0.45) MTNR1AMTNR1BELANEPPARGPPARA
Ethylene Glycol SCHEMBL17351288 0.78 MTNR1A (0.42) MTNR1AMTNR1BELANEPPARGPPARA
SCHEMBL21370 0.75 MTNR1A (0.45) MTNR1AMTNR1BELANEHPGDMAPT
SCHEMBL11657086 0.75 LMNA (0.44) MTNR1AMTNR1BELANEMAPTPOLB
SCHEMBL8521811 0.75 MTNR1A (0.42) MTNR1AMTNR1BELANEHPGDMAPT
SCHEMBL28027574 0.75 MTNR1A (0.42) MTNR1AMTNR1BELANEPPARGPPARA
SCHEMBL1404301 0.75 MTNR1A (0.42) MTNR1AMTNR1BELANEPPARGPPARA
SCHEMBL31591455 0.74 LMNA (0.38) MTNR1AMTNR1BPPARGPPARALMNA

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-0184800-B1 OXYGEN PERMEABLE SOFT CONTACT LENS MATERIAL Toyo Contact Lens Co., Ltd. (JP) 1992-04-29 EP disclosed
US-4649184-A UNSATURATED POLYSILOXANE COPOLYMER WITH MONOMER HAVING SIYLATED HYDROXYL GROUPS TOYO CONTACT LENS CO., LTD. (JP) 1987-03-10 US disclosed
EP-0184800-A2 Oxygen permeable soft contact lens material Toyo Contact Lens Co., Ltd. (JP) 1986-06-18 EP disclosed