SCHEMBL23895135

SCHEMBL23895135

CNC(=O)c1cc(CC(C)C)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 2/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ PTGS1 P23219 3/20 0.42
▸ PTGS2 P35354 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ CXCR1 P25024 2/20 0.42
▸ CXCR2 P25025 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ NR1I3 Q14994 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ CXCL8 P10145 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL1355668 0.87 AKR1C2 (0.51) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL24311447 0.86 AKR1C2 (0.44) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL13592687 0.77 APEX1 (0.47) APEX1KLKB1CTSBMMP9DNMT1
SCHEMBL17586554 0.77 AKR1C2 (0.49) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL4959120 0.77 KLKB1 (0.65) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL4961760 0.77 PPARA (0.55) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL10159905 0.77 AKR1C2 (0.49) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL11214506 0.76 ALDH1A1 (0.66) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL15936058 0.76 AKR1C2 (0.58) AKR1C2AKR1C1PTGS1PTGS2LMNA
SCHEMBL15592319 0.76 AKR1C2 (0.48) AKR1C2AKR1C1PTGS1PTGS2LMNA

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
US-11542397-B2 Liquid composition, quantum dot-containing film, optical film, light-emitting display element panel, and light-emitting display device TOKYO OHKA KOGYO CO., LTD. (JP) 2023-01-03 — — US disclosed
US-20210309866-A1 LIQUID COMPOSITION, QUANTUM DOT-CONTAINING FILM, OPTICAL FILM, LIGHT-EMITTING DISPLAY ELEMENT PANEL, AND LIGHT-EMITTING DISPLAY DEVICE TOKYO OHKA KOGYO CO., LTD. (JP) 2021-10-07 — — US disclosed
Send feedback