SCHEMBL9541755

SCHEMBL9541755

COc1cccc(OCc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL9542202 0.89 MEN1 (0.47) CYP1A2CYP3A4CYP2C19SMN1; SMN2MEN1
SCHEMBL9199484 0.82 TSHR (0.44) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9540692 0.79 POLB (0.49) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9541768 0.77 ALDH1A1 (0.42) MEN1KMT2ATDP1MAPTTSHR
SCHEMBL9543443 0.76 TSHR (0.43) CYP1A2CYP3A4CYP2C19SMN1; SMN2MEN1
SCHEMBL9396759 0.75 PDE4D (0.41) CYP1A2CYP3A4CYP2C19HPGDGAA
SCHEMBL9542239 0.75 TSHR (0.42) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL8885442 0.75 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL8883122 0.75 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9208140 0.74 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19MEN1KMT2A

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