SCHEMBL23118028

SCHEMBL23118028

CC(C)(C)c1ccc(CC2CN[C@H](C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 5/20 0.49
▸ MASP2 O00187 3/20 0.48
▸ ARG1 P05089 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ F2 P00734 3/20 0.40
▸ GRIK2 Q13002 1/20 0.39
▸ ESRRG P62508 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37

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
SCHEMBL16967365 0.86 GRIK1 (0.49) GRIK1MASP2ARG1HRH3F2
SCHEMBL16967363 0.86 GRIK1 (0.49) GRIK1MASP2ARG1HRH3F2
SCHEMBL16967369 0.86 GRIK1 (0.49) GRIK1MASP2ARG1HRH3F2
SCHEMBL23273781 0.86 GRIK1 (0.49) GRIK1MASP2ARG1HRH3F2
SCHEMBL3182372 0.86 GRIK1 (0.49) GRIK1MASP2ARG1HRH3F2
Hydrochloric Acid SCHEMBL25363248 0.85 GRIK1 (0.50) GRIK1MASP2ARG1HRH3F2
SCHEMBL29352179 0.84 GRIK1 (0.50) GRIK1MASP2ARG1HRH3F2
SCHEMBL11242285 0.84 GRIK1 (0.52) GRIK1MASP2ARG1HRH3F2
SCHEMBL11242281 0.84 GRIK1 (0.52) GRIK1MASP2ARG1HRH3F2
SCHEMBL19599284 0.84 GRIK1 (0.47) GRIK1MASP2ARG1HRH3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 — — CN disclosed
EP-4135738-A2 METHOD OF TREATING CORONAVIRUS INFECTIONS Cohbar Inc. (US) 2023-02-22 — — EP disclosed
US-11302421-B2 Data storage using peptides THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-04-12 — — US disclosed
CN-114269367-A Therapeutic peptides 科巴公司 2022-04-01 — — CN disclosed
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 — — CN disclosed
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 — — CN disclosed
US-20210090688-A1 Data storage using peptides THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-03-25 — — US disclosed
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