SCHEMBL28076357

SCHEMBL28076357

CC(=O)Nc1cccc2ccccc12.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
KDM4E B2RXH2 5/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51

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
SCHEMBL357522 0.86 KDM4E (0.69) POLBKDM4EGAARAB9ANPC1
SCHEMBL29514721 0.86 KDM4E (0.69) POLBKDM4EGAARAB9ANPC1
SCHEMBL9848863 0.82 NPC1 (0.62) POLBKDM4ERAB9ANPC1CYP2C19
SCHEMBL8745109 0.81 POLB (0.54) POLBNR4A1NR4A2NR4A3KDM4E
Naphthoic Acid SCHEMBL27788506 0.81 NR4A1 (0.81) POLBNR4A1NR4A2NR4A3KDM4E
SCHEMBL27633078 0.80 KDM4E (0.50) POLBNR4A1NR4A2NR4A3KDM4E
SCHEMBL27637999 0.80 NR4A1 (0.67) POLBNR4A1NR4A2NR4A3KDM4E
Naphthoic Acid SCHEMBL28188245 0.79 NR4A1 (0.78) POLBNR4A1NR4A2NR4A3KDM4E
Naptalam SCHEMBL54940 0.78 HSD17B10 (0.74) POLBNR4A1NR4A2NR4A3KDM4E
Naptalam SCHEMBL29469565 0.78 HSD17B10 (0.74) POLBNR4A1NR4A2NR4A3KDM4E

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
CN-105960168-A Plant growth regulating compositions and methods of making and using same 精制农用化学品有限公司 2016-09-21 CN disclosed
CN-105658068-A Growth regulator concentrates and uses thereof 精细农用化学品有限公司 2016-06-08 CN disclosed