SCHEMBL3036840

SCHEMBL3036840

COc1ccc(COOCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.69
SIGMAR1 Q99720 1/20 0.61
IDO1 P14902 3/20 0.57
AGXT P21549 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ABCB1 P08183 1/20 0.56
CA4 P22748 1/20 0.54
MAOB P27338 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.53
BCHE P06276 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
APP P05067 3/20 0.50

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
SCHEMBL10854465 0.88 LTA4H (0.59) LTA4HSIGMAR1IDO1AGXTTDP1
SCHEMBL28551906 0.87 LTA4H (0.69) LTA4HSIGMAR1IDO1AGXTTDP1
SCHEMBL6429953 0.87 LTA4H (0.69) LTA4HSIGMAR1IDO1AGXTTDP1
SCHEMBL791985 0.83 MAOB (0.69) LTA4HL3MBTL1ABCB1MAOBMEN1
SCHEMBL570480 0.82 LTA4H (1.00) LTA4HSIGMAR1IDO1L3MBTL1CA4
SCHEMBL8077148 0.82 IDO1 (0.61) LTA4HIDO1AGXTMAOBHTT
SCHEMBL2355634 0.82 LTA4H (0.75) LTA4HSIGMAR1TDP1L3MBTL1ABCB1
SCHEMBL553770 0.81 APP (0.69) LTA4HTDP1ABCB1MAOBMEN1
SCHEMBL177923 0.81 TSHR (0.67) IDO1AGXTTDP1L3MBTL1MAOB
SCHEMBL22028110 0.79 LTA4H (0.58) LTA4HHTTNPC1RAB9A

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
US-20100212181-A1 METHODS FOR TREATING FABRIC IN A DRYER THE DIAL CORPORATION (US) 2010-08-26 US claimed
WO-2024034591-A1 HETEROCYCLIC COMPOUND FOR INHIBITING AND/OR INDUCING DEGRADATION OF KRAS PROTEIN アステラス製薬株式会社 2024-02-15 WO disclosed
WO-2024034657-A1 PHARMACEUTICAL COMPOSITION COMPRISING HETEROCYCLIC COMPOUND アステラス製薬株式会社 2024-02-15 WO disclosed
WO-2024034123-A1 PHARMACEUTICAL COMPOSITION CONTAINING HETEROCYCLIC COMPOUND アステラス製薬株式会社 2024-02-15 WO disclosed
WO-2023171781-A1 HETEROCYCLIC COMPOUND FOR INDUCING DEGRADATION OF G12D MUTANT KRAS PROTEIN アステラス製薬株式会社 2023-09-14 WO disclosed
US-20100212181-A1 METHODS FOR TREATING FABRIC IN A DRYER THE DIAL CORPORATION (US) 2010-08-26 US disclosed
EP-1314552-B1 Photosensitive resin composition FUJIFILM CORP (JP) 2009-08-05 EP disclosed
EP-0581466-B1 Compositions containing acetoacetate functional polymer and polyformal ROHM & HAAS (US) 1997-04-16 EP disclosed
EP-0581466-A2 Compositions containing acetoacetate functional polymer and polyformal ROHM AND HAAS COMPANY (US) 1994-02-02 EP disclosed