SCHEMBL18664282

SCHEMBL18664282

CCCC[C@](C)(CC)CO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FDPS P14324 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL1580138 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Ammonia Solution, Strong SCHEMBL10686389 0.97 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL1873782 0.92 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL29050207 0.90 LMNA (0.42) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL8381527 0.90 LMNA (0.42) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL2349533 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL1051205 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL11091732 0.86 CYP4F2 (0.33) TSHR
SCHEMBL11085025 0.86 CYP4F2 (0.33) TSHR
SCHEMBL11091852 0.86 CYP4F2 (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP claimed
WO-2019067061-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO claimed
EP-3687964-A1 NEO-ALCOHOL COMPOUNDS, PROCESSES FOR MAKING SAME AND SUE THEREOF ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP disclosed
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP disclosed
WO-2019067061-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO disclosed
WO-2019067062-A1 NEO-ALCOHOL COMPOUNDS, PROCESSES FOR MAKING SAME AND SUE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO disclosed
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed