SCHEMBL8671663

SCHEMBL8671663

[C]#Cc1ccc2c(c1)C(C)(C)CCO2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.45
RARB P10826 4/20 0.45
RARG P13631 4/20 0.45
RXRA P19793 2/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
AKR1B1 P15121 2/20 0.35
HNF4A P41235 1/20 0.35
AKR1B10 O60218 1/20 0.35
MAPT P10636 1/20 0.35
AKR1A1 P14550 1/20 0.35

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
SCHEMBL6668910 0.84 RARA (0.45) RARARARBRARGRXRACYP26A1
SCHEMBL8197285 0.80 AKR1B1 (0.33) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL8293244 0.76 RARA (0.49) RARARARBRARGRXRACYP26A1
SCHEMBL18211725 0.76 MAP3K14 (0.50) RARARARBRARGRXRACYP26A1
SCHEMBL9817812 0.76 RARB (0.48) RARARARBRARGRXRACYP26A1
SCHEMBL9817629 0.76 CYP26A1 (0.45) RARARARBRARGRXRACYP26A1
SCHEMBL23266155 0.75 RARA (0.46) RARARARBRARGRXRACYP26A1
SCHEMBL6037049 0.75 RARB (0.67) RARARARBRARGRXRACYP26A1
SCHEMBL9817831 0.75 RARB (0.40) RARARARBRARGRXRACYP26A1
SCHEMBL9053722 0.75 RARA (0.48) RARARARBRARGRXRACYP26A1

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-5824685-A VISION DEFECTS AND GENE EXPRESSION THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1998-10-20 US claimed
US-5824685-A VISION DEFECTS AND GENE EXPRESSION THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1998-10-20 US disclosed