SCHEMBL9056396

SCHEMBL9056396

CNC(=O)O.Cc1cc(O)ccc1N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
MCL1 Q07820 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 3/20 0.38
HSD17B1 P14061 3/20 0.37
CYTH2 Q99418 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 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
SCHEMBL6561636 0.87 ESR1 (0.47) ESR1MCL1MAPTALDH1A1MEN1
SCHEMBL27970584 0.79 HTT (0.52) ESR1MCL1MAPTALDH1A1MEN1
SCHEMBL10477316 0.77 CYP3A4 (0.44) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
Aminocarb SCHEMBL7529045 0.76 ACHE (0.45) MAPTALDH1A1KMT2AHPGDNPC1
SCHEMBL22445648 0.75 EGFR (0.42) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL18509438 0.72 ESR2 (0.36) ESR1MAPTALDH1A1MEN1KMT2A
SCHEMBL2120103 0.72 HCAR3 (0.57) ESR1MAPTALDH1A1MEN1KMT2A
SCHEMBL472317 0.72 ALDH1A1 (0.57) MCL1MAPTALDH1A1MEN1KMT2A
Aminocarb SCHEMBL119059 0.71 ACHE (0.47) MAPTALDH1A1KMT2AHPGDNPC1
Aminocarb SCHEMBL31598882 0.71 ACHE (0.47) MAPTALDH1A1KMT2AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996011283-A1 COMPOSITIONS AND METHODS FOR DETECTION OF 2,4-DICHLOROPHENOXYACETIC ACID AND RELATED COMPOUNDS IDAHO RESEARCH FOUNDATION, INC. (US) 1996-04-18 WO claimed
WO-1996011283-A1 COMPOSITIONS AND METHODS FOR DETECTION OF 2,4-DICHLOROPHENOXYACETIC ACID AND RELATED COMPOUNDS IDAHO RESEARCH FOUNDATION, INC. (US) 1996-04-18 WO disclosed