SCHEMBL28600681

SCHEMBL28600681

O=C(O)CCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 3/20 0.75
▸ FOLH1 Q04609 2/20 0.66
▸ CYP1A2 P05177 1/20 0.61
▸ CPA1 P15085 2/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ MAPT P10636 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ LTA4H P09960 1/20 0.51

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
SCHEMBL11143841 1.00 CPA3 (0.75) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL31303730 1.00 CPA3 (0.75) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL28430963 1.00 CPA3 (0.75) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL26679347 0.98 CPA3 (0.77) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL3174797 0.93 CPA3 (0.80) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL12494537 0.93 CPA3 (0.80) CPA3FOLH1CYP1A2CPA1CPB1
Dodecanoate SCHEMBL6299036 0.87 CPA3 (0.57) CPA3FOLH1CYP1A2
SCHEMBL29088272 0.86 CPA3 (1.00) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL3963424 0.86 CPA3 (1.00) CPA3FOLH1CYP1A2CPA1CPB1
SCHEMBL11664393 0.86 FOLH1 (0.79) CPA3FOLH1CYP1A2CPA1CPB1

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
CN-113045473-A Process for preparing long aliphatic chain diacid derivatives and their use 广东东阳光药业有限公司 2021-06-29 — — CN disclosed
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