SCHEMBL11525592

SCHEMBL11525592

CCCCCCCCCCCCCCCCCCPCC(O)C(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.38
LMNA P02545 3/20 0.35
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35
UBE2N P61088 1/20 0.35
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
GPR84 Q9NQS5 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Bromide SCHEMBL28489608 1.00 SPHK1 (0.38) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL9440860 0.82 TSHR (0.38) SPHK1LMNATSHRTHRBGPR84
SCHEMBL6687172 0.80 LMNA (0.40) SPHK1LMNACYP2D6GMNNPOLB
Bromide SCHEMBL25273190 0.75 TSHR (0.53) LMNATSHRTHRBALDH1A1HSD17B10
Bromide SCHEMBL28820475 0.75 TSHR (0.53) LMNATSHRTHRBALDH1A1HSD17B10
Bromide SCHEMBL29136397 0.75 TSHR (0.53) LMNATSHRTHRBALDH1A1HSD17B10
Bromide SCHEMBL29136393 0.75 TSHR (0.53) LMNATSHRTHRBALDH1A1HSD17B10
SCHEMBL15286171 0.75 TSHR (0.40) SPHK1LMNATSHRTHRBALDH1A1
Bromide SCHEMBL8082174 0.73 TSHR (0.50) LMNATSHRTHRBALDH1A1HSD17B10
Bromide SCHEMBL10866028 0.73 TSHR (0.50) LMNATSHRTHRBALDH1A1HSD17B10

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-4136103-A MICROSTRUCTURE, HEAT RESISTANCE, THIXOTROPY IN ORGANIC LIQUIDS EXXON RESEARCH & ENGINEERING CO. (US) 1979-01-23 US disclosed