SCHEMBL31381237

SCHEMBL31381237

O=C(O)[C@H]1CC[C@H](OCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
LIPG Q9Y5X9 2/20 0.47
NAAA Q02083 1/20 0.47
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
NOTUM Q6P988 1/20 0.45
IDO1 P14902 2/20 0.42
TACR1 P25103 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MGLL Q99685 1/20 0.40
SLC6A5 Q9Y345 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
SCHEMBL31381321 0.87 GRM2 (0.49) CARM1PRMT6MMP2MMP13LIPG
SCHEMBL31381270 0.87 GRM2 (0.49) CARM1PRMT6MMP2MMP13LIPG
SCHEMBL18003282 0.84 KDM4E (0.52) CARM1PRMT6MMP2MMP13LIPG
SCHEMBL30754850 0.84 MGLL (0.56) CARM1PRMT6IDO1MGLL
SCHEMBL19515095 0.82 ALDH1A1 (0.57) CARM1PRMT6ALDH1A1GAAHRH3
SCHEMBL2278661 0.82 ALDH1A1 (0.57) CARM1PRMT6ALDH1A1GAAHRH3
SCHEMBL16761773 0.81 CARM1 (0.47) CARM1PRMT6GRM2GRM3NOTUM
SCHEMBL6173389 0.81 CARM1 (0.47) CARM1PRMT6GRM2GRM3NOTUM
SCHEMBL6173390 0.81 CARM1 (0.47) CARM1PRMT6GRM2GRM3NOTUM
SCHEMBL27629882 0.81 CARM1 (0.57) CARM1PRMT6MMP2MMP13LIPG

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
CN-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 CN disclosed