SCHEMBL31052813

SCHEMBL31052813

CC(C)(C)CC[C@H](Nc1cncc2ccccc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 3/20 0.43
▸ SORT1 Q99523 3/20 0.43
▸ PYGL P06737 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ SSTR4 P31391 2/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ TRPV1 Q8NER1 5/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NTSR1 P30989 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35

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
SCHEMBL29213462 0.81 GRN (0.41) GRNSORT1PYGLCYP2C9SSTR4
SCHEMBL29213465 0.81 GRN (0.41) GRNSORT1PYGLCYP2C9SSTR4
SCHEMBL31052824 0.74 GRN (0.48) GRNSORT1PYGLCYP2C9MEN1
SCHEMBL31052849 0.73 ALDH1A1 (0.52) GRNSORT1PYGLCYP2C9SSTR4
SCHEMBL29213443 0.72 ROS1 (0.43) SSTR4SLC22A12TRPV1KMT2AALDH1A1
SCHEMBL29213441 0.72 ROS1 (0.43) SSTR4SLC22A12TRPV1KMT2AALDH1A1
SCHEMBL31052770 0.72 FDPS (0.44) GRNSORT1CYP2C9MEN1KMT2A
SCHEMBL31052826 0.72 GRN (0.41) GRNSORT1PYGLCYP2C9ALDH1A1
SCHEMBL31052764 0.72 KDM4E (0.48) GRNSORT1PYGLCYP2C9MEN1
SCHEMBL31052820 0.71 GRN (0.45) GRNSORT1PYGLCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP claimed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO claimed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP claimed
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP disclosed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO disclosed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP disclosed
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