SCHEMBL3715778

SCHEMBL3715778

CCOC(=O)Cc1ccc(Cc2ccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 2/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA5A P35218 2/20 0.33
CA9 Q16790 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2335475 0.96 KDM4E (0.39) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3702204 0.93 TP53 (0.38) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3712524 0.93 LPAR1 (0.42) KDM4ETP53ALDH1A1LPAR1CA12
SCHEMBL3703091 0.92 KDM4E (0.36) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3708489 0.92 TP53 (0.35) KDM4ETP53ALDH1A1LPAR1SMN1; SMN2
SCHEMBL3705660 0.90 SYK (0.35) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3707582 0.89 LPAR1 (0.39) KDM4EALDH1A1LPAR1HDAC4HDAC6
SCHEMBL3705145 0.89 TLR7 (0.35) KDM4ETP53LPAR1SMN1; SMN2USP2
SCHEMBL2335539 0.89 LPAR1 (0.45) KDM4ETP53LPAR1USP2POLB
SCHEMBL3704734 0.89 KDM4E (0.35) KDM4ETP53ALDH1A1LPAR1HDAC4

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed