SCHEMBL9266431

SCHEMBL9266431

Cc1cccc(C)c1NC(=O)N(Cc1ccccc1O)[C@H]1CC[C@@H](C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TP53 P04637 7/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL9266428 1.00 NPSR1 (0.43) NPSR1TP53MAPTSMN1; SMN2EPHX1
SCHEMBL9262761 0.88 ALDH1A1 (0.49) TP53MAPTSMN1; SMN2EPHX1POLB
SCHEMBL9262763 0.88 ALDH1A1 (0.49) TP53MAPTSMN1; SMN2EPHX1POLB
SCHEMBL9269097 0.86 DCUN1D1 (0.48) EPHX1
SCHEMBL9271518 0.84 EPHX1 (0.39) TP53MAPTSMN1; SMN2EPHX1POLB
SCHEMBL9271515 0.84 EPHX1 (0.39) TP53MAPTSMN1; SMN2EPHX1POLB
SCHEMBL9270886 0.81 TSHR (0.50) TP53MAPTSMN1; SMN2EPHX1ALDH1A1
SCHEMBL9270884 0.81 TSHR (0.50) TP53MAPTSMN1; SMN2EPHX1ALDH1A1
SCHEMBL9267554 0.80 ALDH1A1 (0.66) NPSR1MAPTSMN1; SMN2POLBLMNA
SCHEMBL9267562 0.80 ALDH1A1 (0.66) NPSR1MAPTSMN1; SMN2POLBLMNA

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-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 — — US disclosed
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