SCHEMBL10757331

SCHEMBL10757331

CC(COCc1ccc(F)c(Oc2ccccc2)c1)(c1ccc(OCC(F)(F)F)cc1)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.35
CACNA1B Q00975 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 2/20 0.33
ALOX5 P09917 1/20 0.33
PSEN1 P49768 1/20 0.33
LPAR1 Q92633 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
CETP P11597 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL10752391 0.91 LTA4H (0.39) TACR1LMNAMAPTATML3MBTL1
SCHEMBL10755140 0.89 LTA4H (0.36) CACNA1BPPARGALOX5PSEN1CETP
SCHEMBL10753847 0.89 LTA4H (0.41) CACNA1BPPARGALOX5PSEN1LPAR1
SCHEMBL10759101 0.89 SMN1; SMN2 (0.35) CACNA1BPPARGHDAC1FFAR1
SCHEMBL9785737 0.89 SLC6A2 (0.36) TACR1PPARGLPAR1LPAR5CETP
SCHEMBL10758162 0.89 LPAR1 (0.37) LMNAL3MBTL1LPAR1LPAR5FFAR1
SCHEMBL10865914 0.89 NR4A1 (0.34) TACR1LPAR1LPAR5KMT2AMAOB
SCHEMBL10865141 0.89 HTR2A (0.34) TACR1LMNAL3MBTL1LPAR1LPAR5
SCHEMBL10836969 0.89 TACR1 (0.39) TACR1CACNA1BLMNAMAPTATM
SCHEMBL10754114 0.88 MRGPRX4 (0.33) TACR1LMNAPPARGLPAR1LPAR5

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
US-4678811-A INSECTICIDES, MITICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-07 US claimed
EP-0179018-A1 Substituted benzyl ethers, pesticides containing these compounds and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-23 EP claimed