SCHEMBL3700641

SCHEMBL3700641

CC(c1ccccc1)C(CC(N)=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.49
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42
DRD3 P35462 1/20 0.42
MC3R P41968 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL5607432 0.89 CYP2C19 (0.46) MMECYP2C19CYP1A2CYP2D6PKM
SCHEMBL9196225 0.85 HTT (0.55) MMECYP2D6HTT
SCHEMBL23699060 0.81 MME (0.51) MMECYP2D6
SCHEMBL4984168 0.81 MME (0.51) MMECYP2D6
SCHEMBL20291832 0.79 MME (0.56) MMECYP2D6LMNA
SCHEMBL585397 0.79 MME (0.56) MMECYP2D6LMNA
SCHEMBL6398814 0.79 CYP2C19 (0.46) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL6400135 0.79 CYP2C19 (0.46) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL22341303 0.78 MME (0.51) MMECYP2D6ALDH1A1LMNAMAPK1
Methane SCHEMBL28588551 0.78 MME (0.55) MMECYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014145385-A1 PLANT GROWTH ENHANCEMENT WITH PESA AND HERBICIDES VALENT BIOSCIENCES CORPORATION (US) 2014-09-18 WO claimed
WO-2014145390-A1 PLANT GROWTH ENHANCEMENT WITH PESA AND HERBICIDES VALENT BIOSCIENCES CORPORATION (US) 2014-09-18 WO disclosed
WO-2010123851-A1 PLANT GROWTH ENHANCEMENT WITH COMBINATIONS OF PESA AND HERBICIDES VALENT BIOSCIENCES CORPORATION (US) 2010-10-28 WO disclosed