SCHEMBL11527185

SCHEMBL11527185

Cc1cccc(C)c1OC(=O)CCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 4/20 0.51
P2RX7 Q99572 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL3356284 0.88 SMN1; SMN2 (0.56) SMN1; SMN2TDP1KMT2AALDH1A1P2RX7
SCHEMBL28062064 0.83 TDP1 (0.56) SMN1; SMN2TDP1KMT2AALDH1A1P2RX7
SCHEMBL22499185 0.81 TDP1 (0.58) SMN1; SMN2TDP1KMT2AALDH1A1L3MBTL1
SCHEMBL28439801 0.81 AKR1C3 (0.54) TDP1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL22528727 0.81 TDP1 (0.53) SMN1; SMN2TDP1KMT2AALDH1A1L3MBTL1
SCHEMBL10792928 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL2058958 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL28517396 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL4933320 0.78 AKR1C3 (0.52) SMN1; SMN2TDP1KMT2APOLBRAB9A
SCHEMBL2000580 0.77 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AALDH1A1MEN1L3MBTL1

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-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 US disclosed