SCHEMBL9540822

SCHEMBL9540822

COc1cc(Cc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL9541768 0.89 ALDH1A1 (0.42) THRBMAPTTP53ALDH1A1MEN1
SCHEMBL9540839 0.88 TP53 (0.41) THRBMAPTTP53ALDH1A1MEN1
SCHEMBL9541760 0.86 TUBB4A (0.51) THRBMAPTMEN1KMT2ATUBB4A
SCHEMBL9542171 0.84 GAA (0.46) THRBMAPTTP53MEN1KMT2A
SCHEMBL9584306 0.83 SLC6A9 (0.44) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL9542307 0.83 MEN1 (0.42) THRBMAPTTP53ALDH1A1MEN1
SCHEMBL9544575 0.83 SLC6A9 (0.39) THRBMAPTTP53ALDH1A1MEN1
SCHEMBL9542205 0.81 TSHR (0.43) MAPTTP53MEN1KMT2ATUBB4A
SCHEMBL10453097 0.79 SLC6A9 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9542195 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2ATDP1GAA

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