SCHEMBL20471127

SCHEMBL20471127

C=C(C)/C=C(/N(CCC)CCC)N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ ESR1 P03372 1/20 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
SCHEMBL11264529 0.71 TP53 (0.52) TP53EGFRERBB2LMNAL3MBTL1
SCHEMBL11145953 0.67 FAAH (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL14217912 0.67 FAAH (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL23373396 0.66 TP53 (0.45) TP53L3MBTL1KMT2ALTB4RLTB4R2
SCHEMBL21078085 0.65 TP53 (0.47) TP53EGFRLMNAL3MBTL1MEN1
SCHEMBL18835129 0.65 TP53 (0.47) TP53L3MBTL1MEN1KMT2AESR1
SCHEMBL15382025 0.64 KMT2A (0.50) EGFRFAAHPHGDHMGLLCA12
SCHEMBL6909714 0.64 FAAH (0.47) FAAHPHGDHMGLLCA12CA1
SCHEMBL13649116 0.64 TP53 (0.46) TP53SIGMAR1
SCHEMBL24426151 0.64 TP53 (0.39) TP53FAAHPHGDHMGLLCA12

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
WO-2018142334-A1 FORMULATIONS COMPRISING OXALATE SALTS OF TENELIGLIPTIN AND SOLVATES THEREOF GLENMARK PHARMACEUTICALS LIMITED (IN) 2018-08-09 — — WO disclosed
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