SCHEMBL29411671

SCHEMBL29411671

O=C1S/C(=C\c2cc(O)c(F)c(F)c2)C(=O)N1Cc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.56
▸ ACP1 P24666 2/20 0.56
▸ AKR1B1 P15121 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ENPP2 Q13822 5/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ NLRP3 Q96P20 1/20 0.50
▸ PPARG P37231 2/20 0.49

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
SCHEMBL26709452 1.00 PTPN1 (0.56) PTPN1ACP1AKR1B1MEN1KMT2A
SCHEMBL28979085 0.88 PTPN1 (0.60) PTPN1ACP1AKR1B1MEN1KMT2A
SCHEMBL26709485 0.88 PTPN1 (0.60) PTPN1ACP1AKR1B1MEN1KMT2A
SCHEMBL29411713 0.88 PTPN1 (0.60) PTPN1ACP1AKR1B1MEN1KMT2A
SCHEMBL28978708 0.87 MEN1 (0.57) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL28978705 0.87 MEN1 (0.57) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL29411679 0.87 MEN1 (0.57) PTPN1ACP1MEN1KMT2AALDH1A1
SCHEMBL29411687 0.84 PTPN1 (0.52) PTPN1ACP1AKR1B1MEN1KMT2A
SCHEMBL28978709 0.84 PTPN1 (0.52) PTPN1ACP1AKR1B1MEN1KMT2A
SCHEMBL26606778 0.84 PTPN1 (0.52) PTPN1ACP1AKR1B1MEN1KMT2A

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
EP-4200286-A1 COMPOUNDS AND METHODS OF MODULATING 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 Metrea Biosciences, Inc. (US) 2023-06-28 — — EP disclosed
WO-2022040324-A1 COMPOUNDS AND METHODS OF MODULATING 17β-ΗYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES, INC. (US) 2022-02-24 — — WO disclosed
Send feedback