SCHEMBL3650475

SCHEMBL3650475

O=C(O)c1cccc(C(C(=O)O)(C(=O)O)c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
AKR1C3 P42330 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CDC25B P30305 3/20 0.39
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL11201391 0.89 ALDH1A1 (0.37) ALDH1A1ALOX15LMNAPOLBKDM4E
SCHEMBL11688365 0.85 ALDH1A1 (0.50) ALDH1A1ALOX15LMNAPOLBAKR1C3
SCHEMBL28347889 0.81 ALOX15 (0.46) ALDH1A1ALOX15LMNAAKR1C3NR4A1
SCHEMBL29902877 0.81 ALOX15 (0.46) ALDH1A1ALOX15LMNAAKR1C3NR4A1
SCHEMBL9308271 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15LMNAPOLBAKR1C3
SCHEMBL28604177 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15LMNAPOLBAKR1C3
SCHEMBL7147467 0.77 KMT2A (0.41) ALDH1A1ALOX15LMNAPOLBAKR1C3
SCHEMBL8625772 0.77 ALDH1A1 (0.41) ALDH1A1ALOX15LMNAPOLBAKR1C3
SCHEMBL11540498 0.77 ALDH1A1 (0.41) ALDH1A1ALOX15LMNAPOLBAKR1C3
SCHEMBL2964734 0.74 TAS2R14 (0.51) ALDH1A1ALOX15LMNAAKR1C3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021003162-A2 FRUSTRATED LEWIS PAIR-IMPREGNATED POROUS MATERIALS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2021-01-07 WO claimed
WO-2021039111-A1 RESIN COMPOSITION AND SEMICONDUCTOR SEALING MATERIAL USING SAME, IMPREGNATED BASE MATERIAL, CIRCUIT BASE BOARD, BUILD-UP FILM, PREPREG, CARBON FIBER COMPOSITE MATERIAL, SOLDER RESIST, DRY FILM, AND PRINTED CIRCUIT BOARD DIC株式会社 2021-03-04 WO disclosed
WO-2021003162-A2 FRUSTRATED LEWIS PAIR-IMPREGNATED POROUS MATERIALS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2021-01-07 WO disclosed
US-9393548-B2 Rapid and enhanced activation of microporous coordination polymers by flowing supercritical CO2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-20140179514-A1 RAPID AND ENHANCED ACTIVATION OF MICROPOROUS COORDINATION POLYMERS BY FLOWING SUPERCRITICAL CO2 UNITED STATES DEPARTMENT OF ENERGY 2014-06-26 US disclosed
EP-2178922-A2 POLYMER HYDROGELS AND METHODS OF PREPARATION THEREOF Sannino, Alessandro (IT) 2010-04-28 EP disclosed
EP-2139463-A2 ANTI-INFECTIVE AGENTS Technische Universität Carolo-Wilhelmina zu Braunschweig (DE) 2010-01-06 EP disclosed
WO-2009021701-A2 POLYMER HYDROGELS AND METHODS OF PREPARATION THEREOF SANNINO ALESSANDRO (IT) 2009-02-19 WO disclosed
WO-2008113557-A2 ANTI-INFECTIVE AGENTS Technische Universität Carolo Wilhelmina Zu Braunschweig (DE) 2008-09-25 WO disclosed
WO-2006033467-A1 POLYMER, METHOD FOR PRODUCING THE POLYMER, OPTICAL FILM, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2006-03-30 WO disclosed