SCHEMBL8399370

SCHEMBL8399370

CCCCOOC(CCC)C(=O)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL16585148 0.84 ALDH1A1 (0.37) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL21585757 0.84 ALDH1A1 (0.39) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5450364 0.83 PPARG (0.41) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL5201584 0.81 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL4928830 0.81 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6790209 0.79 NAAA (0.43) ALDH1A1TSHRHCAR2NAAAL3MBTL1
SCHEMBL28369088 0.78 GPR84 (0.41) HCAR2NAAATDP1HDAC1HDAC2
SCHEMBL9054275 0.76 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8669571 0.76 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27625744 0.76 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2

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
CN-102593507-A Lithium secondary battery HITACHI MAXELL ENERGY LTD 2012-07-18 CN disclosed
EP-0843702-B1 IMPROVED ELASTOMERIC VEHICLE HOSES EXXON CHEMICAL PATENTS INC (US) 1999-06-16 EP disclosed
EP-0542852-B1 PROCESSES FOR PRODUCING SHAPED FOAMABLE PARTS EXXON CHEMICAL PATENTS INC (US) 1994-10-12 EP disclosed