SCHEMBL29367472

SCHEMBL29367472

CC1(C)CCc2c(CC(=O)O)cc(CC(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 12/20 0.44
RXRA P19793 5/20 0.44
RXRG P48443 3/20 0.44
RXRB P28702 2/20 0.44
CYP26B1 Q9NR63 10/20 0.40
POLB P06746 1/20 0.35
SRD5A2 P31213 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
SCHEMBL29528253 0.81 RXRA (0.52) CYP26A1RXRARXRGRXRBCYP26B1
SCHEMBL9770694 0.76 RXRA (0.34) CYP26A1RXRARXRGRXRBCYP26B1
SCHEMBL6148042 0.71 CYP26A1 (0.71) CYP26A1RXRARXRGRXRBCYP26B1
SCHEMBL585772 0.71 RXRA (0.50) RXRARXRGRXRB
SCHEMBL29403030 0.71 RXRA (0.50) RXRARXRGRXRB
SCHEMBL7940089 0.67 TSHR (0.46) CYP26A1RXRARXRGRXRBCYP26B1
SCHEMBL5199934 0.66 HDAC4 (0.35) CYP26A1RXRARXRGRXRBPOLB
SCHEMBL6146899 0.65 CYP26A1 (0.69) CYP26A1RXRARXRGRXRBCYP26B1
SCHEMBL6146438 0.65 RARA (0.51) CYP26A1RXRARXRGRXRBCYP26B1
SCHEMBL6144438 0.65 CYP26A1 (0.58) CYP26A1RXRARXRGRXRBCYP26B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 CN disclosed