SCHEMBL10629599

SCHEMBL10629599

CC(C)(C)c1ccc(CCC(O)CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.57
EPHX2 P34913 3/20 0.57
SRD5A2 P31213 1/20 0.57
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
NR4A2 P43354 1/20 0.56
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
ESRRG P62508 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
ESRRB O95718 1/20 0.48
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
RXRG P48443 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
Lifibrol SCHEMBL9484778 0.87 NR4A2 (0.64) NR1H4EPHX2SRD5A2RXRARXRB
SCHEMBL8829626 0.87 RXRA (0.56) NR1H4EPHX2SRD5A2RXRARXRB
Lifibrol SCHEMBL140583 0.87 NR4A2 (0.64) NR1H4EPHX2SRD5A2RXRARXRB
Lifibrol SCHEMBL9478310 0.87 NR4A2 (0.64) NR1H4EPHX2SRD5A2RXRARXRB
SCHEMBL9414680 0.87 MMP12 (0.54) RARBMMP12MMP13
SCHEMBL10625366 0.83 NR1H4 (0.59) NR1H4EPHX2ESRRGNPC1RAB9A
SCHEMBL10625370 0.81 RXRA (0.53) NR1H4EPHX2SRD5A2RXRARXRB
SCHEMBL10629576 0.81 CYP4F2 (0.58) NR1H4EPHX2NR4A2ESRRGNPC1
SCHEMBL17699395 0.81 SRD5A2 (0.61) NR1H4EPHX2SRD5A2RXRARXRB
SCHEMBL10629555 0.79 RXRA (0.57) RXRARXRBRARBNPC1RAB9A

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-4778925-A ANTILIPEMIC AGENTS KLINGE PHARMA GMBH (DE) 1988-10-18 US disclosed