SCHEMBL7879873

SCHEMBL7879873

CC1(C)CCC(C)(C)c2cc(/C=C/C(=O)Oc3ccc(C(=O)OCc4ccccc4)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.52
RARG P13631 7/20 0.52
RARA P10276 6/20 0.52
CYP26A1 O43174 2/20 0.48
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
TTR P02766 1/20 0.47
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.45
RXRA P19793 4/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7879878 1.00 RARB (0.52) RARBRARGRARACYP26A1AKR1B10
SCHEMBL9551719 0.84 RARB (0.54) RARBRARGRARACYP26A1KMT2A
SCHEMBL7876430 0.84 RARB (0.74) RARBRARGRARACYP26A1LMNA
SCHEMBL7876428 0.84 RARB (0.74) RARBRARGRARACYP26A1LMNA
SCHEMBL7876472 0.81 RARB (0.52) RARBRARGRARACYP26A1LMNA
SCHEMBL7876471 0.81 RARB (0.52) RARBRARGRARACYP26A1LMNA
SCHEMBL8839024 0.81 KMT2A (0.56) RARBRARGRARACYP26A1KMT2A
SCHEMBL8839111 0.80 KMT2A (0.52) RARBRARGRARAKMT2ALMNA
SCHEMBL8839103 0.80 RXRA (0.52) RARBRARGRARACYP26A1KMT2A
SCHEMBL7086116 0.80 RARG (0.67) RARBRARGRARACYP26A1LMNA

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed