SCHEMBL8716231

SCHEMBL8716231

CC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
P2RX4 Q99571 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
HPGD P15428 2/20 0.38
FABP4 P15090 3/20 0.38
FABP5 Q01469 3/20 0.38
SLC1A5 Q15758 2/20 0.38
HTR1A P08908 2/20 0.37
DRD2 P14416 1/20 0.37
LIPE Q05469 1/20 0.36
TP53 P04637 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8713631 0.88 RXRA (0.42) RXRARXRBRXRGSGMS2SLC1A5
SCHEMBL8713622 0.88 ABCB1 (0.42) RXRARXRBRXRGSGMS2HTR1A
SCHEMBL8713790 0.85 NR3C1 (0.47) MEN1KMT2AMAPT
SCHEMBL8713910 0.82 SLC6A2 (0.41) NFKB1SMN1; SMN2HTT
SCHEMBL8716927 0.80 HTR1A (0.44) HPGDSLC1A5HTR1ADRD2LIPE
SCHEMBL8716208 0.78 SLC6A2 (0.38) NFKB1HTT
SCHEMBL8718570 0.78 SLC6A2 (0.38) NFKB1TDP1
SCHEMBL8714242 0.78 SLC6A2 (0.38) MEN1NFKB1KMT2ASMN1; SMN2HTT
SCHEMBL8718108 0.78 ABCB1 (0.46) RXRARXRBRXRGMEN1NPC1
SCHEMBL8719259 0.78 NR3C1 (0.39) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed