SCHEMBL5812423

SCHEMBL5812423

CC(=Cc1ccc(C(=O)O)cc1)CNc1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
GRK2 P25098 3/20 0.53
GRK3 P35626 3/20 0.53
SRD5A2 P31213 1/20 0.53
NR4A2 P43354 2/20 0.52
GRK5 P34947 2/20 0.52
NR1H4 Q96RI1 3/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
NR4A1 P22736 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
SCHEMBL5810457 0.92 GRK2 (0.52) FFAR1GRK2GRK3GRK5SMN1; SMN2
SCHEMBL5796853 0.91 HDAC6 (0.57) FFAR1GRK2GRK3GRK5MAOB
SCHEMBL5799597 0.85 NPC1 (0.50) GRK2GRK3GRK5SMN1; SMN2KMT2A
SCHEMBL5799558 0.78 ALDH1A1 (0.63) NR1H4SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL5795757 0.78 POLB (0.49) SRD5A2SMN1; SMN2KMT2AMEN1PKM
SCHEMBL5798866 0.78 PPIA (0.58) RXRARXRBRXRG
SCHEMBL5287947 0.78 FFAR1 (0.62) FFAR1GRK2GRK3NR4A2GRK5
SCHEMBL8009616 0.77 FFAR1 (0.58) FFAR1GRK2GRK3NR4A2GRK5
SCHEMBL4748825 0.77 CTSV (0.67) FFAR1SRD5A2NR4A2NR1H4TSHR
SCHEMBL5796419 0.77 RAB9A (0.52) GRK2GRK3GRK5SMN1; SMN2KMT2A

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed