SCHEMBL9724320

SCHEMBL9724320

CCC(CC(=O)c1ccc2c(c1)C(C)(C)C(C)C2(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMO O15229 2/20 0.38
▸ STING1 Q86WV6 4/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP26A1 O43174 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP26B1 Q9NR63 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
SCHEMBL9586527 0.84 RXRA (0.42) RXRAKMOSTING1CYP26A1CYP3A4
SCHEMBL9586891 0.76 KMT2A (0.47) RXRATSHRKMT2ACYP26A1CYP3A4
SCHEMBL9724349 0.75 KMT2A (0.46) RXRATSHRKMT2ACYP26A1CYP3A4
SCHEMBL4407340 0.72 RXRA (0.48) RXRANPC1
SCHEMBL8922539 0.71 TSHR (0.42) TSHRKMOSTING1MEN1NPC1
SCHEMBL10842199 0.71 GAA (0.47) RXRATSHRMEN1KMT2ACYP26A1
SCHEMBL9588204 0.71 RXRA (0.40) RXRATSHRSTING1MEN1KMT2A
SCHEMBL9185753 0.70 CYP3A4 (0.50) RXRAMEN1NPC1KMT2ACYP26A1
SCHEMBL3693703 0.70 TSHR (0.78) TSHRMEN1NPC1KMT2ACYP3A4
SCHEMBL8522801 0.70 RXRA (0.60) RXRACYP26A1CYP26B1

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
EP-0286523-B1 AROMATIC DERIVATIVES OF BUTYRIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR COSMETIC AND PHARMACEUTICAL USE L'OREAL (FR) 1992-01-22 — — EP claimed
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