SCHEMBL24251891

SCHEMBL24251891

COC(=O)C1CC(OCc2ccccc2)CN1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.45
AGTR2 P50052 2/20 0.45
TMEM97 Q5BJF2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MMP2 P08253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
BDKRB2 P30411 1/20 0.42
BACE1 P56817 2/20 0.41
CPB1 P15086 1/20 0.41
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 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
SCHEMBL23942920 0.88 AGTR2 (0.53) MMP9AGTR2TMEM97CARM1PRMT6
SCHEMBL26207194 0.88 AGTR2 (0.53) MMP9AGTR2TMEM97CARM1PRMT6
SCHEMBL14597374 0.86 AGTR2 (0.46) MMP9AGTR2TMEM97CARM1PRMT6
SCHEMBL9969601 0.86 AGTR2 (0.46) MMP9AGTR2TMEM97CARM1PRMT6
SCHEMBL8290842 0.86 AGTR2 (0.46) MMP9AGTR2TMEM97CARM1PRMT6
SCHEMBL19181066 0.86 MMP9 (0.47) MMP9AGTR2BACE1CYP2C19
SCHEMBL29385791 0.86 AGTR2 (0.46) MMP9AGTR2MMP2CTSLCTSB
SCHEMBL21751203 0.86 MMP9 (0.47) MMP9AGTR2BACE1CYP2C19
SCHEMBL13729227 0.86 AGTR2 (0.46) MMP9AGTR2MMP2CTSLCTSB
SCHEMBL13613076 0.83 POLB (0.48) AGTR2BDKRB2CPB1ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169922-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2022033532-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 WO disclosed