SCHEMBL9028163

SCHEMBL9028163

O=C(OC(c1cnccc1Cl)c1ccccc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
CHUK O15111 1/20 0.39
RBP4 P02753 1/20 0.39
MGLL Q99685 3/20 0.38
ABHD6 Q9BV23 3/20 0.38
PLA2G7 Q13093 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.37
LIPE Q05469 2/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9028689 0.79 SCN9A (0.37) RBP4
SCHEMBL9030025 0.78 GPBAR1 (0.38)
SCHEMBL9028582 0.78 SCN9A (0.40) NOTUM
SCHEMBL9028593 0.76 CNR1 (0.40) KDM4ESMN1; SMN2
SCHEMBL9028568 0.76 SCN9A (0.37) KDM4ENOTUMALDH1A1
SCHEMBL8549639 0.75 GPBAR1 (0.37) RBP4MGLL
SCHEMBL8550618 0.75 LIPE (0.43) KDM4ELIPE
SCHEMBL27437030 0.74 LIPE (0.33) LIPE
SCHEMBL9270522 0.74 MGLL (0.39) RBP4MGLLABHD6PLA2G7LIPE
SCHEMBL9028891 0.74 LIMK1 (0.37) KDM4ENOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP disclosed