SCHEMBL8034169

SCHEMBL8034169

CC(=O)N(c1ccccc1)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.50
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.44
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL30610439 0.89 NPSR1 (0.47) PTPN1MEN1TSHRKMT2ANPSR1
SCHEMBL28050368 0.86 NPC1 (0.45) PTPN1MEN1TSHRKMT2ANPSR1
SCHEMBL8485416 0.86 PTPN1 (0.48) PTPN1NPSR1ALDH1A1ALOX15CA12
SCHEMBL27617215 0.84 AKR1C3 (0.47) PTPN1MEN1TSHRKMT2ANPSR1
SCHEMBL9068711 0.83 PTPN1 (0.49) PTPN1NPSR1ALDH1A1ALOX15CA12
SCHEMBL27617112 0.83 NPSR1 (0.41) PTPN1MEN1TSHRKMT2ANPSR1
SCHEMBL28609649 0.83 GAA (0.46) PTPN1MEN1TSHRKMT2ANPSR1
SCHEMBL28605602 0.82 PTPN1 (0.51) PTPN1MEN1TSHRKMT2AALDH1A1
SCHEMBL8044308 0.82 PTPN1 (0.45) PTPN1MEN1TSHRKMT2AALDH1A1
SCHEMBL6438589 0.81 PTPN1 (0.49) PTPN1KMT2ANPSR1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248399-A O-amino aromatic amide derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2021-08-13 CN disclosed
CN-111630154-A Enhancing fibroblast regenerative activity 菲格内有限责任公司 2020-09-04 CN disclosed
WO-2000066751-A1 EXPRESSION CASSETTE FOR EFFICIENT PRODUCTION OF A PROTEIN DSM N.V. (NL) 2000-11-09 WO disclosed