SCHEMBL14640362

SCHEMBL14640362

CC(C)N1CCC(C(=O)O)CC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AGTR2 P50052 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
SCHEMBL13957384 0.87 S1PR5 (0.46) KCNH2HRH3POLBALDH1A1
SCHEMBL14944939 0.86 KCNH2 (0.40) KCNH2HRH3
SCHEMBL13957383 0.82 KCNH2 (0.43) L3MBTL1KCNH2HRH3
SCHEMBL14948179 0.82 L3MBTL1 (0.49) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6952343 0.79 L3MBTL1 (0.49) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1119544 0.78 NEK2 (0.35) SMN1; SMN2ALDH1A1MAPT
SCHEMBL22049970 0.77 PRMT3 (0.44) KCNH2HRH3POLB
SCHEMBL580852 0.76 PSEN1 (0.49) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27696116 0.76 AKR1C3 (0.47) L3MBTL1KCNH2HRH3AGTR2
SCHEMBL5517445 0.76 L3MBTL1 (0.46) L3MBTL1POLBNPC1RAB9ASMN1; SMN2

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-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 — — WO disclosed
Send feedback