SCHEMBL9847820

SCHEMBL9847820

CCCC(C)(C)OC(=O)CCC(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL645760 0.90 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHR
Hydrochloric Acid SCHEMBL7024417 0.84 LMNA (0.52) ALDH1A1LMNAHSD17B10HTR2CKDM4E
SCHEMBL17882018 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL5837034 0.82 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL17848826 0.82 FFAR3 (0.41) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL19594671 0.81 ALDH1A1 (0.34) ALDH1A1TDP1LMNAHSD17B10HTR2C
SCHEMBL6784510 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10
SCHEMBL24106170 0.80 CES1 (0.41) ALDH1A1LMNATSHR
SCHEMBL9847789 0.79 TDP1 (0.39) ALDH1A1TDP1LMNAHTR2CKDM4E
SCHEMBL17860970 0.79 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10

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-0457103-A1 Mixtures of polyamides with aromatic (co)poly(ester)-carbonates based on tertiary alkyl ester groups containing bisphenols BAYER AG (DE) 1991-11-21 EP disclosed
EP-0457102-A2 Bisphenols with a tertiary alkyle ester function, their process of preparation and their use BAYER AG (DE) 1991-11-21 EP disclosed