SCHEMBL29112710

SCHEMBL29112710

O=C(OF)[C@H](Cc1ccccc1)N(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CTRB1 P17538 3/20 0.42
SRR Q9GZT4 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
CHRM1 P11229 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CPA1 P15085 2/20 0.40
CPA3 P15088 2/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL29127421 0.85 CYP1A2 (0.43) CYP1A2CTRB1SRRSLC1A3SLC1A2
SCHEMBL27987428 0.83 CYP1A2 (0.44) CYP1A2CTRB1SRRSLC1A3SLC1A2
SCHEMBL28283100 0.83 SRR (0.50) CYP1A2CTRB1SRRSLC1A3SLC1A2
SCHEMBL28878522 0.83 ATM (0.50) CTRB1ALDH1A1MAPTMMP8
SCHEMBL5151597 0.83 ATM (0.50) CTRB1ALDH1A1MAPTMMP8
SCHEMBL28239477 0.81 CYP1A2 (0.43) CYP1A2CTRB1SRRSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL28015582 0.81 ATM (0.49) CTRB1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28015581 0.81 ATM (0.49) CTRB1ALDH1A1MAPT
SCHEMBL27420280 0.81 PPARG (0.43) CYP1A2CTRB1SRRSLC1A3SLC1A2
SCHEMBL2466759 0.80 CYP1A2 (0.57) CYP1A2SRRSLC1A3SLC1A2SLC1A1

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
CN-117098754-A Somatostatin receptor type 5 agonists for the treatment of hyperinsulinemia 克林提克斯医药股份有限公司 2023-11-21 CN disclosed