SCHEMBL16086232

SCHEMBL16086232

CC(C)COC(=O)C1(C(=O)O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.34
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS1 P23219 1/20 0.30
APEX1 P27695 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MME P08473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL16086824 0.98 RAB9A (0.36) RAB9ATSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL16086598 0.96 RAB9A (0.37) RAB9ATSHRALDH1A1MEN1LMNA
SCHEMBL16086746 0.92 TSHR (0.39) RAB9ATSHRALDH1A1MEN1LMNA
SCHEMBL13518446 0.90 TSHR (0.41) RAB9ATSHRALDH1A1APOBEC3AAPOBEC3G
SCHEMBL232259 0.89 TSHR (0.39) RAB9ATSHRALDH1A1MEN1LMNA
SCHEMBL16949830 0.89 TSHR (0.39) RAB9ATSHRALDH1A1MEN1LMNA
SCHEMBL16086597 0.86 TSHR (0.41) RAB9ATSHRALDH1A1MEN1LMNA
SCHEMBL5352037 0.84 HTT (0.34) RAB9ATSHRALDH1A1CYP2C19LMNA
SCHEMBL16086745 0.82 TSHR (0.43) RAB9ATSHRALDH1A1MEN1LMNA
SCHEMBL28205692 0.81 PPARG (0.35) TSHRALDH1A1APOBEC3AAPOBEC3GCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed