SCHEMBL8370935

SCHEMBL8370935

CC(C)[C@@H](C)CCCCCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 5/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
FFAR4 Q5NUL3 2/20 0.53
FFAR1 O14842 2/20 0.53
GPR84 Q9NQS5 6/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
GSTK1 Q9Y2Q3 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL7782145 1.00 ALDH1A1 (0.57) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL5878789 1.00 ALDH1A1 (0.57) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL22500792 0.98 ALDH1A1 (0.53) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL27533411 0.91 ALDH1A1 (0.53) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7781537 0.91 ALDH1A1 (0.53) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL6299904 0.91 ALDH1A1 (0.53) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL6295372 0.91 ALDH1A1 (0.53) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL27529458 0.91 ALDH1A1 (0.53) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL17866996 0.91 ALDH1A1 (0.61) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL12474992 0.91 ALDH1A1 (0.61) ALDH1A1TSHRLMNANFKB1PMP22

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
EP-0893422-A1 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-01-27 EP disclosed