SCHEMBL9623401

SCHEMBL9623401

CC(=CO)C(=O)C1=CCc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CES1 P23141 2/20 0.37
MAOA P21397 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APEX1 P27695 5/20 0.33
NOTUM Q6P988 1/20 0.33
MIF P14174 2/20 0.33

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
SCHEMBL2320565 0.81 ALDH1A1 (0.47) ALDH1A1CES1MAOAKMT2AMEN1
SCHEMBL3039377 0.76 MAOA (0.45) ALDH1A1CES1MAOAMAPTBCHE
SCHEMBL30191469 0.72 NOTUM (0.39) ALDH1A1CES1MAOANPC1RAB9A
SCHEMBL15573886 0.72 NOTUM (0.39) ALDH1A1CES1MAOANPC1RAB9A
SCHEMBL8003247 0.72 CES1 (0.41) ALDH1A1CES1MAOAKMT2AMEN1
SCHEMBL10440547 0.72 ALDH1A1 (0.42) ALDH1A1CES1MAOAKMT2AMEN1
SCHEMBL8154115 0.69 MAPT (0.43) ALDH1A1CES1MAOAKMT2AMEN1
SCHEMBL11813906 0.68 HTR6 (0.37) ALDH1A1CES1MAOABCHECYP1A2
SCHEMBL335207 0.68 SRD5A2 (0.43) ALDH1A1CES1MAOAKDM4ESMN1; SMN2
SCHEMBL31147237 0.68 SRD5A2 (0.43) ALDH1A1CES1MAOAKDM4ESMN1; 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-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