SCHEMBL14444734

SCHEMBL14444734

C=CCCCO[C@H]1OC(COSOOO)[C@@H](OSOOO)[C@H](OSOOO)C1NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ LGALS8 O00214 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BDNF P23560 3/20 0.32
▸ PTN P21246 2/20 0.32
▸ MDK P21741 2/20 0.32
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ BMP2 P12643 1/20 0.31
▸ VEGFA P15692 1/20 0.31
▸ CXCL12 P48061 1/20 0.31
▸ SHH Q15465 1/20 0.31

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
SCHEMBL14444723 0.82 LMNA (0.34) LGALS3CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL14444736 0.76 HPSE (0.33) VEGFACXCL12
SCHEMBL26445659 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL18102370 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL16393109 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL25098517 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL24922818 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL29772234 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL22606447 0.72 CYP3A4 (0.55) MAPK1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL23794931 0.71 CYP3A4 (0.54) MAPK1LGALS8LGALS3LGALS4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244830-B2 Glycopolymers and free radical polymerization methods EMORY UNIVERSITY (US) 2007-07-17 — — US disclosed
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