SCHEMBL27628394

SCHEMBL27628394

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.[CsH]

nearest known ligand 0.96

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.96
▸ TSHR P16473 6/20 0.96
▸ LMNA P02545 2/20 0.96
▸ CYP3A4 P08684 2/20 0.93
▸ MAPK1 P28482 2/20 0.93
▸ TP53 P04637 1/20 0.93
▸ L3MBTL1 Q9Y468 3/20 0.83
▸ TDP1 Q9NUW8 2/20 0.83
▸ HSD17B10 Q99714 2/20 0.77
▸ KDM4E B2RXH2 2/20 0.77
▸ POLB P06746 1/20 0.77
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57

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
SCHEMBL111107 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1191692 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4452591 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6351105 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL49699 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL780144 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL111972 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11432490 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10379553 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL995817 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1

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
CN-1668569-A Preparations containing diformates and short-chain carboxylic acids BASF AG (DE) 2005-09-14 — — CN disclosed
CN-1668215-A Preparations containing at least one diformate BASF AG (DE) 2005-09-14 — — CN disclosed
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