SCHEMBL10892009

SCHEMBL10892009

CCCCCCCCCCCCCC=COC(=O)c1ccccc1OC=CCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
POLM Q9NP87 1/20 0.41
POLK Q9UBT6 1/20 0.41
POLL Q9UGP5 1/20 0.41
POLH Q9Y253 1/20 0.41

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
SCHEMBL27553393 0.89 ALDH1A1 (0.55) ALDH1A1TSHRLMNACYP3A4TP53
SCHEMBL6716587 0.86 KDM4E (0.52) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL31279976 0.86 KDM4E (0.52) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL9513715 0.86 KDM4E (0.52) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL9513712 0.86 KDM4E (0.52) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL10892005 0.86 KDM4E (0.52) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL9941712 0.84 NAAA (0.49) ALDH1A1TSHRLMNACYP3A4MAPT
SCHEMBL9941713 0.84 NAAA (0.49) ALDH1A1TSHRLMNACYP3A4MAPT
SCHEMBL27569430 0.84 TSHR (0.46) ALDH1A1TSHRLMNACYP3A4MEN1
SCHEMBL30668445 0.83 KDM4E (0.48) ALDH1A1TSHRLMNAMEN1MAPT

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-4627928-A Basic non-carbonated magnesium compositions and fuel, lubricant and additive concentrate compositions containing same THE LUBRIZOL CORPORATION (US) 1986-12-09 US disclosed