SCHEMBL19005957

SCHEMBL19005957

CCCOc1cc2c(cc1C(=O)CCc1ccc(OC)c(N)c1)OCCS2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
CTNNB1 P35222 4/20 0.35
WNT3A P56704 4/20 0.35
MEN1 O00255 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
SCHEMBL18987197 0.96 HDAC1 (0.36) HDAC1HDAC2TUBB4ATUBBTUBA3C
SCHEMBL18987365 0.87 CYP19A1 (0.44) HDAC1HDAC2TUBB4ATUBBTUBA3C
SCHEMBL18987706 0.86 CTNNB1 (0.41) HDAC1HDAC2TUBB4ATUBBTUBA3C
SCHEMBL19005959 0.83 KMT2A (0.39) HDAC1HDAC2MEN1KMT2ATSHR
SCHEMBL19005979 0.82 HTT (0.36) MEN1KMT2ANPSR1GAA
SCHEMBL19005956 0.82 HTR1A (0.36) HDAC1HDAC2CTNNB1WNT3AMEN1
SCHEMBL18987379 0.81 CYP19A1 (0.46) HDAC1HDAC2TUBB4ATUBBTUBA3C
SCHEMBL996935 0.80 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL996932 0.80 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19005989 0.80 HDAC1 (0.37) HDAC1HDAC2MEN1KMT2ASLC5A1

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
WO-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed