SCHEMBL11080948

SCHEMBL11080948

CCCCCCCCCCCCCCCCCCSC(C)CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.38
FDPS P14324 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
ROCK2 O75116 1/20 0.36
TP53 P04637 2/20 0.35
CES2 O00748 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL7002279 0.91 ROCK2 (0.38) EPHX1LMNAHSD17B10ALDH1A1MEN1
Phosphoric Acid SCHEMBL11091217 0.91 FDPS (0.47) EPHX1FDPS
SCHEMBL26351201 0.85 EPHX1 (0.48) EPHX1LMNAHSD17B10TSHROPRM1
SCHEMBL27738542 0.85 EPHX1 (0.48) EPHX1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL28101271 0.85 EPHX1 (0.48) EPHX1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL23026449 0.85 EPHX1 (0.48) EPHX1LMNAHSD17B10TSHROPRM1
SCHEMBL10643424 0.85 EPHX1 (0.48) EPHX1LMNATSHROPRM1FDPS
SCHEMBL26351206 0.85 EPHX1 (0.48) EPHX1LMNAHSD17B10TSHROPRM1
SCHEMBL26351197 0.85 EPHX1 (0.48) EPHX1LMNAHSD17B10TSHROPRM1
SCHEMBL28101186 0.85 EPHX1 (0.48) EPHX1LMNATSHROPRM1FDPS

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
EP-0050327-B1 PHOSPHOLIPIDS THAT CONTAIN SULPHUR, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1984-06-20 EP disclosed
US-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed
EP-0050327-A1 Phospholipids that contain sulphur, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1982-04-28 EP disclosed