SCHEMBL9729410

SCHEMBL9729410

COC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
ALDH1A1 P00352 3/20 0.76
MEN1 O00255 2/20 0.76
KDM4E B2RXH2 1/20 0.76
GAA P10253 1/20 0.53
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49

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
SCHEMBL7046987 0.90 ALDH1A1 (0.72) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL4865137 0.86 ALDH1A1 (1.00) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL2127920 0.85 KMT2A (0.66) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL10882250 0.84 KMT2A (0.64) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL9828028 0.82 MEN1 (0.62) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL11248607 0.82 ALDH1A1 (0.62) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL4730730 0.81 ALDH1A1 (0.57) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL25238149 0.81 ALDH1A1 (0.60) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL3407396 0.81 MEN1 (0.65) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL10483795 0.81 ALDH1A1 (0.60) KMT2AALDH1A1MEN1KDM4EGAA

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-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-5143938-A PROPANAMINES, THEIR PHARMACOLOGICAL PROPERTIES AND THEIR APPLICATION FOR THERAPEUTIC IN PARTICULAR ANTIDIARRHEAL, PURPOSES JOUVEINAL S.A. (FR) 1992-09-01 US disclosed
US-4829076-A CARDIOVASCULAR DISORDERS ALKALOIDA VEGYESZETI GYAR (HU) 1989-05-09 US disclosed