SCHEMBL7302409

SCHEMBL7302409

CC(=Cc1ccc(C(=O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.51
RARG P13631 9/20 0.47
RARB P10826 8/20 0.47
RARA P10276 7/20 0.47
AKR1C3 P42330 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RXRA P19793 4/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 2/20 0.40
BLM P54132 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL7302403 1.00 ALDH1A1 (0.53) ALDH1A1POLBTDP1GLAL3MBTL1
SCHEMBL20853874 0.85 AKR1C3 (0.58) ALDH1A1POLBTDP1GLAAKR1C3
SCHEMBL28915528 0.85 AKR1C3 (0.58) ALDH1A1POLBTDP1GLAAKR1C3
SCHEMBL7316708 0.84 ALDH1A1 (0.51) ALDH1A1TDP1MAPTRARGRARB
SCHEMBL7316713 0.84 ALDH1A1 (0.51) ALDH1A1TDP1MAPTRARGRARB
SCHEMBL5606469 0.83 ALDH1A1 (0.50) ALDH1A1AKR1C3CYP2C9CA1CA2
SCHEMBL7302575 0.79 KMT2A (0.52) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7302569 0.79 KMT2A (0.52) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7312808 0.77 AKR1C3 (0.53) ALDH1A1POLBTDP1GLAL3MBTL1
SCHEMBL7312807 0.77 AKR1C3 (0.53) ALDH1A1POLBTDP1GLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901653-A Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-12 CN disclosed
EP-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP disclosed
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5514713-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0656349-A1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed