SCHEMBL11867430

SCHEMBL11867430

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
▸ PPARG P37231 6/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ TRPA1 O75762 4/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ PTGER2 P43116 5/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL11867435 1.00 DNTT (0.42) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11867811 0.85 DNTT (0.42) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11867800 0.85 DNTT (0.42) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866493 0.84 DNTT (0.50) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866489 0.84 DNTT (0.50) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11865215 0.78 TRPA1 (0.49) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11865207 0.78 TRPA1 (0.49) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11857503 0.78 TRPA1 (0.49) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866575 0.78 DNTT (0.44) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866585 0.78 DNTT (0.44) DNTTPPARGPPARAPPARDTRPA1

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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