SCHEMBL17784662

SCHEMBL17784662

C=C(CC1NCCN1)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 2/20 0.31
THRB P10828 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL465152 0.80 ALDH1A1 (0.40) ALDH1A1TSHRMAPTCYP2D6CYP2C19
SCHEMBL5479797 0.79 ALDH1A1 (0.34) ALDH1A1TSHRMAPTCYP2D6CYP2C19
SCHEMBL6574784 0.76 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL31514971 0.76 FDPS (0.40) ALDH1A1TSHRMAPTCYP2D6OPRM1
SCHEMBL156677 0.73 ALDH1A1 (0.49) ALDH1A1TSHRMAPTCYP2D6CYP2C19
SCHEMBL2517427 0.73 ALDH1A1 (0.40) ALDH1A1TSHRMAPTHPGDGAA
SCHEMBL2987389 0.71 ALDH1A1 (0.39) ALDH1A1TSHRMAPTNPSR1HPGD
SCHEMBL17627798 0.70 ALDH1A1 (0.39) ALDH1A1TSHRMAPTCYP2D6CYP2C19
SCHEMBL14533248 0.69 ALDH1A1 (0.52) ALDH1A1TSHRMAPTCYP2D6CYP2C19
SCHEMBL35720 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668019-B2 Process for preparation of a drug-polymer composition PATEL KIRIT (IN) 2020-06-02 US disclosed
US-20170304205-A1 PROCESS FOR PREPARATION OF A DRUG-POLYMER COMPOSITION PATEL KIRIT (IN) 2017-10-26 US disclosed
EP-3223799-A1 A PROCESS FOR PREPARATION OF A DRUG-POLYMER COMPOSITION Patel, Kirit (IN) 2017-10-04 EP disclosed
WO-2016084105-A1 A PROCESS FOR PREPARATION OF A DRUG-POLYMER COMPOSITION PATEL KIRIT (IN) 2016-06-02 WO disclosed