SCHEMBL25596258

SCHEMBL25596258

CCC(C)(C)C(=O)Oc1cc(OC)c(C(C)(O)C(F)(F)F)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ACAT1 P24752 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ELANE P08246 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PDK1 Q15118 3/20 0.32
▸ PDK2 Q15119 3/20 0.32

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
SCHEMBL26078924 0.89 NPSR1 (0.36) CYP3A4TSHRKDM4ETP53MAPT
SCHEMBL25596259 0.83 MRGPRX4 (0.38) CYP3A4TSHRKDM4ETP53MAPT
SCHEMBL12108423 0.80 ELANE (0.37) TSHRKDM4EELANEALDH1A1HSD11B1
SCHEMBL25597070 0.78 NPSR1 (0.39) TSHRELANEALDH1A1NPSR1LMNA
SCHEMBL9973369 0.76 ELANE (0.34) ELANEHSD11B1LMNA
SCHEMBL11913011 0.74 ELANE (0.37) ELANELMNA
SCHEMBL10115670 0.74 HSD11B1 (0.48) ELANEHSD11B1
SCHEMBL12315701 0.73 MAOB (0.46) CYP3A4TSHRKDM4ETP53MAPT
SCHEMBL25596226 0.73 FAAH (0.39) CYP3A4TSHRKDM4ECYP2C9CYP2C19
SCHEMBL15395812 0.72 BACE1 (0.44) CYP3A4KDM4EMAPTELANEALOX5

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-11681224-B2 Resin, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-20 — — US disclosed
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