SCHEMBL11818849

SCHEMBL11818849

CCC(=NOCSC)C1=C(OC(=O)c2ccccc2)CC(C)(C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 6/20 0.37
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11818841 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11822466 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11822473 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11822033 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11822027 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11829077 0.86 KMT2A (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11829087 0.86 KMT2A (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11820301 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL11820295 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL11819320 0.79 RAB9A (0.33) MAPTCYP3A4KDM4ENPSR1GAA

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-3989737-A HERBICIDES NIPPON SODA COMPANY LIMITED (JA) 1976-11-02 — — US disclosed
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