SCHEMBL9222602

SCHEMBL9222602

CC(=O)OOc1cc(C)ccc1CO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SRC P12931 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL7847833 0.85 LMNA (0.38) LMNATSHRHTTCYP2C9SMN1; SMN2
SCHEMBL27301509 0.84 CYP4F2 (0.36) LMNATSHRHTTCYP2C9SMN1; SMN2
SCHEMBL9222607 0.83 LMNA (0.50) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL9057885 0.81 BACE1 (0.43) ALDH1A1NPC1HSD17B10
SCHEMBL27699733 0.76 MRGPRX4 (0.43) LMNACYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL28714159 0.75 LMNA (0.38) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL703143 0.74 PDCD1 (0.56) LMNATSHRHTTCYP2C9ALDH1A1
SCHEMBL9390703 0.73 ALDH1A1 (0.33) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL7843044 0.73 PTGDR2 (0.59) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL9391322 0.73 SRC (0.41) LMNATSHRSMN1; SMN2ALDH1A1NPC1

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-0656892-A1 HERBICIDAL 2- (4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1995-06-14 EP disclosed