SCHEMBL10844151

SCHEMBL10844151

CCCCCCc1cc2c(cc1C=Cc1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.48
RARB P10826 6/20 0.48
RARG P13631 6/20 0.48
CYP3A4 P08684 3/20 0.44
RXRA P19793 4/20 0.44
CYP26A1 O43174 3/20 0.41
PTPN1 P18031 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
VDR P11473 3/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10841056 1.00 RARA (0.48) RARARARBRARGCYP3A4RXRA
SCHEMBL10846459 1.00 RARA (0.48) RARARARBRARGCYP3A4RXRA
SCHEMBL10841063 1.00 RARA (0.48) RARARARBRARGCYP3A4RXRA
SCHEMBL10844148 1.00 RARA (0.48) RARARARBRARGCYP3A4RXRA
SCHEMBL10846465 1.00 RARA (0.48) RARARARBRARGCYP3A4RXRA
SCHEMBL10843882 0.96 RARA (0.50) RARARARBRARGCYP3A4RXRA
SCHEMBL10843886 0.96 RARA (0.50) RARARARBRARGCYP3A4RXRA
SCHEMBL6909571 0.92 RARB (0.52) RARARARBRARGCYP3A4RXRA
SCHEMBL7207214 0.91 RARA (0.50) RARARARBRARGRXRACYP26A1
SCHEMBL7207219 0.91 RARA (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4578498-A FOR SKIN DISORDERS; REDUCED TOXICITY BASF AKTIENGESELLSCHAFT (DE) 1986-03-25 US disclosed