SCHEMBL28092472

SCHEMBL28092472

O=C(O)CC(CC(=O)O)CP(O)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42

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
SCHEMBL28092372 0.95 MAPT (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28092604 0.80 CPA1 (0.44) MAPTKDM4EKEAP1CPA1CPB1
SCHEMBL28092373 0.77 FFAR1 (0.41) RAB9AFFAR1TRPA1ALDH1A1HPGD
SCHEMBL28624427 0.77 CPA3 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28092610 0.73 GPR84 (0.40) HDAC11TDP1FFAR1ALDH1A1KMT2A
SCHEMBL28211458 0.73 CPA3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18065715 0.72 MMP12 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27505502 0.70 MAPT (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7434940 0.69 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28092487 0.69 CPA1 (0.39) KDM4EMMP2CPA1CPB1CPA3

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-105849568-A Compounds for positron emission tomography 恩多塞特公司 2016-08-10 — — CN disclosed
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