SCHEMBL20909820

SCHEMBL20909820

C=CCn1c(C(=O)O)cc2ccc(Br)cc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.55
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 1/20 0.46
CCR2 P41597 6/20 0.41
KMT2A Q03164 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
GPR35 Q9HC97 2/20 0.39
KMO O15229 1/20 0.38

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
SCHEMBL708036 0.81 CCR2 (0.63) ALDH1A1MCL1CCR2KMT2AMEN1
SCHEMBL20909819 0.81 CCR9 (0.62) CCR9ALDH1A1MCL1CCR2GPR35
SCHEMBL20909816 0.78 MCL1 (0.49) CCR9ALDH1A1MCL1CCR2HSD17B10
SCHEMBL20909826 0.77 CCR9 (0.55) CCR9MCL1CCR2GPR35KMO
SCHEMBL6838506 0.75 ALDH1A1 (0.67) CCR9ALDH1A1MCL1CCR2HSD17B10
SCHEMBL9613229 0.74 GPR35 (0.48) CCR9ALDH1A1CCR2KMT2AMEN1
SCHEMBL1260741 0.74 CCR2 (0.56) ALDH1A1CCR2GPR35
SCHEMBL8352 0.73 LDHA (0.61) CCR9ALDH1A1MCL1CCR2HSD17B10
SCHEMBL6834189 0.73 AKR1C2 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL3638805 0.72 MCL1 (0.53) CCR9ALDH1A1MCL1CCR2HSD17B10

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-20190113842-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 US disclosed