SCHEMBL9325583

SCHEMBL9325583

CCN(CC)CCCCC(C(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
MAPT P10636 2/20 0.58
LMNA P02545 7/20 0.54
CYP1A2 P05177 6/20 0.54
CYP2D6 P10635 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HIF1A Q16665 3/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
PMP22 Q01453 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TP53 P04637 2/20 0.44
CYP2C9 P11712 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
CHRM2 P08172 1/20 0.40

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
Butetamate SCHEMBL317018 0.78 KDM4E (1.00) KDM4EMAPTLMNACYP1A2CYP2D6
Butamirate SCHEMBL636120 0.74 KDM4E (0.88) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL8508561 0.74 KDM4E (0.47) KDM4EMAPTLMNACYP1A2CYP2D6
Citric Acid SCHEMBL27486294 0.72 KDM4E (0.58) KDM4EMAPTLMNACYP1A2CYP2D6
Citric Acid SCHEMBL9323612 0.71 CHRM1 (0.60) KDM4EMAPTLMNACYP1A2CYP2D6
Alverine SCHEMBL352008 0.70 KDM4E (1.00) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL2441378 0.70 KDM4E (0.60) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL6942126 0.69 KDM4E (0.48) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL9323620 0.69 CYP2D6 (0.47) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL11578611 0.68 NPC1 (0.48) LMNAALDH1A1TSHRSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308735-A Aromatic-aldehyde resins, improved solubility NIPPON PAINT CO., LTD. (JP) 1994-05-03 US disclosed
EP-0540016-A1 Photosensitive resin and resin composition for lithographic printing Nippon Paint Co., Ltd. (JP) 1993-05-05 EP disclosed