SCHEMBL9363239

SCHEMBL9363239

COc1cc(C(=O)C=Cc2ccc(NC(C)=O)cc2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.77
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
HPGD P15428 2/20 0.73
LMNA P02545 1/20 0.73
GLA P06280 1/20 0.73
POLB P06746 1/20 0.73
TNFRSF1A P19438 4/20 0.67
ABCB1 P08183 1/20 0.64
TUBB1 Q9H4B7 6/20 0.63
TUBB4A P04350 3/20 0.63
TUBB P07437 3/20 0.63
TUBA3C P0DPH7 3/20 0.63
TUBA1B P68363 3/20 0.63
TUBA4A P68366 3/20 0.63
TUBB4B P68371 3/20 0.63
TUBB3 Q13509 3/20 0.63
TUBB2A Q13885 3/20 0.63
TUBB8 Q3ZCM7 3/20 0.63
TUBA3E Q6PEY2 3/20 0.63

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
SCHEMBL9363224 1.00 ABCG2 (0.77) ABCG2MEN1KMT2AHPGDLMNA
SCHEMBL28802494 0.85 TUBB4A (0.63) MEN1KMT2AHPGDLMNAGLA
SCHEMBL615819 0.82 ABCG2 (0.88) ABCG2MEN1KMT2ALMNATNFRSF1A
SCHEMBL6659039 0.82 ABCG2 (0.88) ABCG2MEN1KMT2ALMNATNFRSF1A
SCHEMBL6780730 0.82 ABCG2 (0.88) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL10497922 0.82 ABCG2 (0.88) ABCG2LMNATNFRSF1AABCB1TUBB1
SCHEMBL6780724 0.82 ABCG2 (0.88) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL15155080 0.81 ABCG2 (0.86) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL15155082 0.81 ABCG2 (0.86) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL29018483 0.81 ABCG2 (0.86) ABCG2LMNATNFRSF1AABCB1TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288794-B1 Controlling the growth of tumor tissue with chalcone derivatives MERRELL DOW PHARMA (US) 1994-06-08 EP disclosed
EP-0286083-B1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH CHALCONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-04 EP disclosed
EP-0287901-B1 METHODS FOR TREATING GOUT WITH CHALCONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-01 EP disclosed
US-4904697-A Controlling the growth of certain tumor tissue with chalcone derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-27 US disclosed
US-4863968-A Methods of treating gout with chalcone derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-05 US disclosed
US-4753965-A INHIBITING DESTRUCTION OF MYELIN SHEATH; ANTIMITOTIC MERRELL DOW PHARMACEUTICALS, INC. (US) 1988-06-28 US disclosed