SCHEMBL10459830

SCHEMBL10459830

CCOP(=O)(OCC)C(N=Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CETP P11597 3/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ELANE P08246 1/20 0.38

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
SCHEMBL11388720 0.91 MIF (0.43) MIFALDH1A1CYP1A2CYP2C19
SCHEMBL11805657 0.83 SMN1; SMN2 (0.44) MIFPOLBLMNANR1I2GAA
SCHEMBL11802813 0.80 MIF (0.46) MIFPOLBGAAALDH1A1KDM4E
SCHEMBL7282986 0.75 POLB (0.49) POLBGAAALDH1A1HSD17B10KMT2A
SCHEMBL11067301 0.74 POLB (0.48) POLBLMNAGAAALDH1A1HSD17B10
SCHEMBL6843718 0.73 POLB (0.42) MIFPOLBLMNANR1I2ALDH1A1
SCHEMBL11115120 0.73 MIF (0.54) MIFLMNAALDH1A1CYP1A2CYP2C19
SCHEMBL11115123 0.73 MIF (0.54) MIFLMNAALDH1A1CYP1A2CYP2C19
SCHEMBL8386861 0.73 POLB (0.47) POLBGAAALDH1A1HSD17B10KMT2A
SCHEMBL11804685 0.72 PPARG (0.43) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 — — US disclosed
US-4226866-A BACTERICIDES, ACYLATION MERCK & CO., INC. (US) 1980-10-07 — — US disclosed
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