SCHEMBL9309149

SCHEMBL9309149

COC(=O)CNCC(=O)OC.Cc1cc(C(=O)c2cccc(N)c2)cc(C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
PBRM1 Q86U86 1/20 0.47
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
FASN P49327 1/20 0.35
THRB P10828 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL9306776 0.81 MAPT (0.47) NPC1ALDH1A1MEN1KMT2A
SCHEMBL11151289 0.74 ATM (0.56) NPC1MITFLMNAPOLBALDH1A1
SCHEMBL9309137 0.74 PBRM1 (0.46) NPC1MITFLMNAPOLBPBRM1
SCHEMBL4444843 0.73 GABRA1 (0.47) NPC1ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL6160025 0.73 MAPK1 (0.60) PBRM1ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL31570061 0.72 NPC1 (1.00) NPC1MITFLMNAPOLBPBRM1
SCHEMBL6158282 0.71 ALDH1A1 (0.45) NPC1MITFLMNAPOLBPBRM1
SCHEMBL125621 0.71 PBRM1 (0.87) NPC1MITFLMNAPOLBPBRM1
SCHEMBL29363032 0.71 PBRM1 (0.87) NPC1MITFLMNAPOLBPBRM1
SCHEMBL9282073 0.71 PBRM1 (0.87) NPC1MITFLMNAPOLBPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed