SCHEMBL18530985

SCHEMBL18530985

CCC(=O)Oc1cccc(F)c1COc1cc(Cl)c(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
ALDH1A1 P00352 3/20 0.39
SGMS2 Q8NHU3 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.38
PPARD Q03181 1/20 0.38
PTGER1 P34995 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GUCY1B2 O75343 1/20 0.37
GUCY1A2 P33402 1/20 0.37
GUCY1A1 Q02108 1/20 0.37
GUCY1B1 Q02153 1/20 0.37

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
SCHEMBL18178653 0.93 ALDH1A1 (0.39) MRGPRX4ALDH1A1SGMS2POLBRAB9A
SCHEMBL18178639 0.93 ALDH1A1 (0.39) MRGPRX4ALDH1A1SGMS2POLBRAB9A
SCHEMBL18532836 0.91 ALDH1A1 (0.38) MRGPRX4ALDH1A1SGMS2POLBRAB9A
SCHEMBL18530991 0.91 ALDH1A1 (0.38) MRGPRX4ALDH1A1SGMS2POLBRAB9A
SCHEMBL18178745 0.91 MRGPRX4 (0.43) MRGPRX4ALDH1A1RAB9AMAPTPPARD
SCHEMBL18178666 0.90 PTGER1 (0.38) ALDH1A1SGMS2POLBRAB9AMAPT
SCHEMBL18530977 0.90 SLC22A12 (0.43) MRGPRX4ALDH1A1SGMS2POLBRAB9A
SCHEMBL18530982 0.90 MAPT (0.40) MRGPRX4ALDH1A1SGMS2POLBMAPT
SCHEMBL18178574 0.90 MRGPRX4 (0.44) MRGPRX4ALDH1A1PPARDPTGER1GUCY1B2
SCHEMBL18178699 0.89 ALDH1A1 (0.39) ALDH1A1SGMS2POLBRAB9AMAPT

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed