SCHEMBL9152575

SCHEMBL9152575

COc1ccc(-c2nc(CCCCCC#N)oc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.46
RXRA P19793 7/20 0.45
RXRB P28702 7/20 0.45
RXRG P48443 5/20 0.45
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL9150030 1.00 PPARD (0.46) PPARDRXRARXRBRXRGHPGD
SCHEMBL9153947 1.00 PPARD (0.46) PPARDRXRARXRBRXRGHPGD
SCHEMBL9151359 1.00 PPARD (0.46) PPARDRXRARXRBRXRGHPGD
SCHEMBL9152238 0.94 RXRA (0.43) PPARDRXRARXRBRXRGHPGD
SCHEMBL9150972 0.94 RXRA (0.43) PPARDRXRARXRBRXRGHPGD
SCHEMBL9148476 0.91 RXRA (0.52) RXRARXRBRXRGHPGDMEN1
SCHEMBL9149302 0.91 RXRA (0.52) RXRARXRBRXRGHPGDMEN1
SCHEMBL9150010 0.81 RXRA (0.40) PPARDRXRARXRBRXRGHPGD
SCHEMBL9150003 0.81 RXRA (0.40) PPARDRXRARXRBRXRGHPGD
SCHEMBL9150023 0.79 PPARD (0.44) PPARDRXRARXRBRXRGSMN1; 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-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed