SCHEMBL2846353

SCHEMBL2846353

Cc1ccc(C2(C(=O)O)CCCC2)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
FFAR4 Q5NUL3 2/20 0.44
LTB4R Q15722 5/20 0.43
LTB4R2 Q9NPC1 5/20 0.43
FFAR1 O14842 1/20 0.43
PTPN1 P18031 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
LMNA P02545 1/20 0.41
SELL P14151 2/20 0.41
SELP P16109 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19753275 0.95 RXRA (0.47) AKR1C1RXRARXRBRXRGFFAR4
SCHEMBL30083345 0.81 NPC1 (0.56) MEN1KMT2ARXRA
SCHEMBL20194925 0.81 NPC1 (0.41) MEN1KMT2ATSHRFFAR4LMNA
SCHEMBL1464596 0.81 NPC1 (0.56) MEN1KMT2ARXRA
SCHEMBL1465575 0.81 SMPD1 (0.55) MEN1KMT2ARXRALMNAL3MBTL1
SCHEMBL20194922 0.81 MCL1 (0.45) AKR1C1PTPN1LMNA
SCHEMBL15094956 0.80 KDM4E (0.55) MEN1KMT2ALMNAL3MBTL1
SCHEMBL20482682 0.80 MRGPRX4 (0.48) AKR1C1RXRARXRBRXRGLTB4R
SCHEMBL1466791 0.80 MRGPRX4 (0.48) MEN1KMT2ARXRARXRB
SCHEMBL27078205 0.79 MEN1 (0.63) AKR1C1MEN1KMT2ATSHRFFAR4

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-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed