SCHEMBL8068627

SCHEMBL8068627

COC(=O)c1ccc(Oc2ccc(CCN(C)C)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.48
LPAR5 Q9H1C0 2/20 0.48
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
NOTUM Q6P988 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP3A4 P08684 1/20 0.42
ESRRA P11474 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AR P10275 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ROCK2 O75116 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL8068670 0.86 NOTUM (0.43) LPAR1LPAR5SLC6A2SLC6A4NOTUM
SCHEMBL8068454 0.84 THRA (0.44) SLC6A2SLC6A4NOTUMMRGPRX4THRA
SCHEMBL12239037 0.84 LOXL2 (0.55) SLC6A2SLC6A4NOTUMMRGPRX4CYP3A4
SCHEMBL8074970 0.83 SLC6A2 (0.45) LPAR1LPAR5SLC6A2SLC6A4THRA
Hydrochloric Acid SCHEMBL8070331 0.83 SLC6A2 (0.44) LPAR1LPAR5SLC6A2SLC6A4THRA
SCHEMBL8070159 0.82 FFAR1 (0.42) LPAR1LPAR5SLC6A2SLC6A4MRGPRX4
SCHEMBL8075018 0.81 SLC6A2 (0.43) LPAR1LPAR5SLC6A2SLC6A4THRA
SCHEMBL8068481 0.80 THRA (0.43) LPAR1LPAR5SLC6A2SLC6A4THRA
SCHEMBL8075068 0.80 NOTUM (0.54) NOTUMMRGPRX4CYP3A4ESRRAALDH1A1
SCHEMBL8068832 0.79 PKM (0.43) LPAR1LPAR5ALDH1A1HPGDNPSR1

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-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed