SCHEMBL4748825

SCHEMBL4748825

O=C(O)c1ccc(Nc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.67
CTSL P07711 2/20 0.67
SRD5A2 P31213 2/20 0.65
NR4A2 P43354 3/20 0.65
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NR1H4 Q96RI1 3/20 0.62
FFAR1 O14842 1/20 0.62
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.60
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
SMPD1 P17405 1/20 0.56

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
SCHEMBL27322834 0.90 MAOB (0.67) CTSVCTSLNR4A2SMN1; SMN2NR1H4
SCHEMBL6098127 0.87 CTSV (0.65) CTSVCTSLNR4A2SIRT2MEN1
SCHEMBL14044001 0.83 FFAR1 (0.79) SRD5A2NR4A2TSHRSMN1; SMN2NR1H4
SCHEMBL6359813 0.82 CTSV (0.56) CTSVCTSLNR4A2SMN1; SMN2SIRT2
SCHEMBL27438029 0.82 CTSV (0.56) CTSVCTSLNR1H4SIRT2MEN1
SCHEMBL27438020 0.82 MAOB (0.62) CTSVCTSLSMN1; SMN2SIRT2MEN1
SCHEMBL1123461 0.81 NR4A2 (0.81) SRD5A2NR4A2TSHRSMN1; SMN2FFAR1
SCHEMBL14043910 0.81 AKR1C3 (0.60) SRD5A2NR1H4SIRT2POLBNPC1
SCHEMBL27429206 0.81 MAOA (0.65) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL10983488 0.80 CTSV (1.00) CTSVCTSLNR4A2TSHRNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed