SCHEMBL29657593

SCHEMBL29657593

CCCC(CCC(C)NCCc1ccccc1)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.53
▸ SIGMAR1 Q99720 6/20 0.50
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL4076046 0.81 MMP12 (0.49) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL28873445 0.81 SIGMAR1 (0.68) OPRK1SIGMAR1POLBCYP1A2CYP2C9
SCHEMBL2221988 0.81 ANPEP (0.48) SIGMAR1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL2221986 0.81 ANPEP (0.48) SIGMAR1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL19498803 0.75 OPRK1 (0.81) OPRK1SIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL18065715 0.73 MMP12 (0.56) SMN1; SMN2TSHR
SCHEMBL2479744 0.72 OPRK1 (0.55) OPRK1SIGMAR1POLBSMN1; SMN2
SCHEMBL20689709 0.72 SIGMAR1 (0.68) OPRK1SIGMAR1MEN1KMT2AHTT
SCHEMBL20689717 0.72 SIGMAR1 (0.68) OPRK1SIGMAR1MEN1KMT2AHTT
SCHEMBL20689711 0.72 SIGMAR1 (0.68) OPRK1SIGMAR1MEN1KMT2AHTT

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-2023283332-A1 USES OF ARGINASE INHIBITORS FOR MANAGING KIDNEY DISEASE AND CARDIOVASCULAR CONDITIONS EMORY UNIVERSITY (US) 2023-01-12 — — WO disclosed
CN-110123820-B Arginase inhibitors and methods of use thereof 阿斯利康公司 2022-05-31 — — CN disclosed
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