SCHEMBL9239083

SCHEMBL9239083

O=C(O)Cc1ccc2c(c1)C(=O)c1cc3ccccc3cc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.53
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
PARK7 Q99497 1/20 0.48
TTR P02766 1/20 0.46
PTGS1 P23219 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
ABCC4 O15439 1/20 0.46
HTT P42858 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
PKLR P30613 1/20 0.45

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
SCHEMBL8600926 0.91 AKR1B1 (0.60) AKR1B1LMNAMAPTNPC1ALDH1A1
SCHEMBL14299544 0.90 AKR1B1 (0.58) AKR1B1LMNAMAPTNPC1ALDH1A1
SCHEMBL19202482 0.89 AKR1B1 (0.58) AKR1B1LMNAMAPTNPC1ALDH1A1
SCHEMBL16091077 0.86 AKR1B1 (0.58) AKR1B1LMNAMAPTNPC1ALDH1A1
SCHEMBL4371665 0.81 AKR1B1 (0.51) AKR1B1LMNAMAPTNPC1ALDH1A1
2-Naphthylacetic Acid SCHEMBL28641469 0.78 NR1H4 (0.71) AKR1B1LMNAMAPTNR1H4PTGS1
2-Naphthylacetic Acid SCHEMBL29366514 0.78 NR1H4 (0.71) AKR1B1LMNAMAPTNR1H4PTGS1
2-Naphthylacetic Acid SCHEMBL238445 0.78 NR1H4 (0.71) AKR1B1LMNAMAPTNR1H4PTGS1
2-Naphthylacetic Acid SCHEMBL30493868 0.78 NR1H4 (0.71) AKR1B1LMNAMAPTNR1H4PTGS1
SCHEMBL11767982 0.78 PTGS1 (0.54) AKR1B1LMNAMAPTALDH1A1NR1H4

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-5391749-A Photoinitiators or photosensitizers CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
US-5112977-A Photoinitiators, metallization of polymeric surfaces CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed