SCHEMBL8422353

SCHEMBL8422353

CNC(=O)CCCc1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGER1 P34995 2/20 0.48
▸ PTGER4 P35408 2/20 0.48
▸ PTGER3 P43115 2/20 0.48
▸ PTGER2 P43116 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL8421443 0.86 PTGER1 (0.54) ALDH1A1MEN1KMT2APTGER1PTGER4
SCHEMBL7784387 0.85 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL28093291 0.83 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8592978 0.79 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL28001736 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13794084 0.77 KDM4E (0.51) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL28334171 0.76 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8422444 0.76 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2APTGER1PTGER4
SCHEMBL7788740 0.76 TSHR (0.56) ALDH1A1MEN1KMT2APTGER1PTGER4
SCHEMBL3499125 0.76 MEN1 (0.48) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2

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
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 — — US disclosed
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