SCHEMBL8337100

SCHEMBL8337100

COC(=O)c1cc(C(F)(F)F)cc(C(C)C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.48
CFTR P13569 2/20 0.46
NOTUM Q6P988 1/20 0.43
MAPK1 P28482 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PDK2 Q15119 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL8335367 0.81 CFTR (0.50) GPR35CFTRNOTUMMRGPRX4PDK2
SCHEMBL8112464 0.79 CFTR (0.49) GPR35CFTRNOTUMMAPK1MRGPRX4
SCHEMBL8428603 0.77 GPR35 (0.37) GPR35
SCHEMBL8428606 0.76 SLC9A1 (0.47)
Hydrochloric Acid SCHEMBL8331420 0.76 GPR35 (0.36) GPR35
Hydrochloric Acid SCHEMBL8331426 0.75 SLC9A1 (0.46)
SCHEMBL8332067 0.74 NOTUM (0.48) GPR35CFTRNOTUMMRGPRX4PDK2
SCHEMBL2657595 0.74 MRGPRX4 (0.51) GPR35CFTRNOTUMMAPK1MRGPRX4
SCHEMBL8117858 0.72 GPR35 (0.43) GPR35CFTRNOTUMMRGPRX4GABRP
SCHEMBL15934963 0.72 PDE2A (0.41) GPR35LMNAGABRA1GABRB1

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-5856574-A ANTIISCHEMIC AGENTS; ANTIARRTHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed