SCHEMBL11657247

SCHEMBL11657247

CCCC(C)(Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 10/20 0.36
▸ RXRA P19793 9/20 0.36
▸ RXRG P48443 7/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ SLC13A5 Q86YT5 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CD69 Q07108 1/20 0.33

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
SCHEMBL11667478 0.91 RXRA (0.37) RXRBRXRARXRGALDH1A1GABRA1
SCHEMBL11660641 0.89 RXRA (0.39) RXRBRXRARXRGALDH1A1SLC13A5
SCHEMBL11662833 0.88 RXRA (0.38) RXRBRXRARXRGALDH1A1SLC13A5
SCHEMBL11663428 0.88 RXRA (0.40) RXRBRXRARXRGALDH1A1SMN1; SMN2
SCHEMBL11661830 0.82 CNR2 (0.35) ALDH1A1SMN1; SMN2CYP3A4MAPTMAPK1
SCHEMBL11734771 0.81 HPN (0.54) MAPTALOX15
SCHEMBL11662830 0.76 HDAC3 (0.36) RXRBRXRARXRGALDH1A1GABRA1
SCHEMBL11663579 0.75 RXRB (0.46) RXRBRXRARXRGALDH1A1GABRA1
SCHEMBL3823413 0.75 ESR1 (0.42) ALDH1A1CYP3A4BLMTDP1
SCHEMBL3828827 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CYP3A4MAPTALOX15

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-4067998-A HYPOLIPIDEMIC AGENTS THE DOW CHEMICAL COMPANY (US) 1978-01-10 — — US claimed
US-4067998-A HYPOLIPIDEMIC AGENTS THE DOW CHEMICAL COMPANY (US) 1978-01-10 — — US disclosed
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