SCHEMBL10758162

SCHEMBL10758162

COc1ccc(C(C)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM3 P20309 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LTA4H P09960 1/20 0.35
FFAR1 O14842 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10865914 0.92 NR4A1 (0.34) LPAR1LPAR5TTRALDH1A1CHRM3
SCHEMBL10865141 0.92 HTR2A (0.34) LPAR1LPAR5LMNATTRALDH1A1
SCHEMBL10754114 0.91 MRGPRX4 (0.33) LPAR1LPAR5LMNATTRALDH1A1
SCHEMBL10750968 0.91 TTR (0.35) LMNATTRALDH1A1HTTSMN1; SMN2
SCHEMBL10865759 0.90 TTR (0.43) TTRALDH1A1HTTSMN1; SMN2
SCHEMBL10753752 0.90 FFAR4 (0.36) LPAR1LPAR5RAB9A
SCHEMBL10752391 0.90 LTA4H (0.39) LMNAKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL9785737 0.90 SLC6A2 (0.36) LPAR1LPAR5ALDH1A1GAALTA4H
SCHEMBL10751071 0.90 SMN1; SMN2 (0.33) LPAR1LPAR5TTRALDH1A1SMN1; SMN2
SCHEMBL10757331 0.89 TACR1 (0.35) LPAR1LPAR5LMNAALDH1A1FFAR1

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