SCHEMBL9542171

SCHEMBL9542171

COc1cc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
MMP2 P08253 2/20 0.43
ADAM17 P78536 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 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
SCHEMBL9542198 0.90 GAA (0.47) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9542205 0.89 TSHR (0.43) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9543496 0.89 MEN1 (0.47) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9540799 0.87 TRPM8 (0.51) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9541782 0.86 KMT2A (0.41) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9542243 0.86 POLB (0.46) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9541760 0.86 TUBB4A (0.51) MAPTMEN1KMT2ATHRBTUBB4A
SCHEMBL9541762 0.86 MEN1 (0.48) GAAMAPTTSHRNPSR1MEN1
SCHEMBL9540822 0.84 THRB (0.46) GAAMAPTMEN1KMT2ATP53
SCHEMBL9543471 0.84 MEN1 (0.42) MAPTTSHRNPSR1MEN1KMT2A

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 3 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