SCHEMBL21752922

SCHEMBL21752922

O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1ccc(Cl)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ ME2 P23368 1/20 0.42
▸ ME1 P48163 1/20 0.42
▸ ME3 Q16798 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GRM5 P41594 5/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL16100239 0.94 GFER (0.41) ATMGFERME2ME1ME3
SCHEMBL21756473 0.90 ALDH1A1 (0.46) ATMKMT2AGRM5HSD11B1
SCHEMBL21753810 0.89 ATM (0.47) ATMRXRARXRBRXRGKMT2A
SCHEMBL21753819 0.89 KMT2A (0.48) KMT2AGPR183CYP2C9CYP2C19GRM5
SCHEMBL21753809 0.89 SMN1; SMN2 (0.45) GFERRXRARXRBRXRGKMT2A
SCHEMBL21753812 0.89 ALDH1A1 (0.46) KMT2AMEN1GPR183GRM5FNTA
SCHEMBL21753815 0.89 GRM5 (0.49) ME2ME1ME3KMT2AMEN1
SCHEMBL16099458 0.89 PANK3 (0.44) GRM5
SCHEMBL21753823 0.88 MAPT (0.46) GRM5
SCHEMBL16102896 0.88 CA2 (0.44) KMT2AGRM5

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
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO claimed
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO disclosed
Send feedback