SCHEMBL11867800

SCHEMBL11867800

CCCCCC(O)CC[C@H]1C=CC(=O)[C@H]1CCC(C)CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 1/20 0.42
▸ TRPA1 O75762 4/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PTGER2 P43116 3/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL11867811 1.00 DNTT (0.42) DNTTTRPA1NR4A2HPGDMEN1
SCHEMBL11867435 0.85 DNTT (0.42) DNTTTRPA1NR4A2HPGDMEN1
SCHEMBL11867430 0.85 DNTT (0.42) DNTTTRPA1NR4A2HPGDMEN1
SCHEMBL11866497 0.85 TRPA1 (0.48) DNTTTRPA1NR4A2PTGER2PTGER4
SCHEMBL11866505 0.85 TRPA1 (0.48) DNTTTRPA1NR4A2PTGER2PTGER4
SCHEMBL11870184 0.79 TRPA1 (0.63) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL11870177 0.79 TRPA1 (0.63) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL11870173 0.79 TRPA1 (0.63) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL11869680 0.79 TRPA1 (0.42) DNTTTRPA1NR4A2HPGDMEN1
SCHEMBL11869689 0.79 TRPA1 (0.42) DNTTTRPA1NR4A2HPGDMEN1

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
US-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 — — US disclosed
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