SCHEMBL9542202

SCHEMBL9542202

COc1ccc(OCc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
LTB4R Q15722 2/20 0.43
MCHR1 Q99705 1/20 0.43
HTT P42858 4/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.41
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL9541755 0.89 CYP1A2 (0.45) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL9199484 0.82 TSHR (0.44) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL9542198 0.79 GAA (0.47) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL9542205 0.79 TSHR (0.43) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL9541768 0.77 ALDH1A1 (0.42) MEN1KMT2ATSHRNPSR1MAPT
Hydrochloric Acid SCHEMBL8994913 0.77 LTB4R (0.73) TSHRLTB4RMCHR1LTB4R2
SCHEMBL9543471 0.76 MEN1 (0.42) MEN1KMT2ATSHRNPSR1MAPT
SCHEMBL9543443 0.76 TSHR (0.43) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL9542239 0.75 TSHR (0.42) GAACYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8994923 0.75 LTB4R (0.54) TSHRMAPTLTB4RMCHR1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US claimed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed