SCHEMBL15550708

SCHEMBL15550708

CC(C)(C(=O)O)C(c1ccc(Nc2ccc3ccccc3c2)cc1)c1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 18/20 0.56
▸ ADRA2A P08913 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ ADRA2C P18825 1/20 0.54
▸ CYP3A4 P08684 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15550143 0.90 CYP26A1 (0.57) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL15550398 0.90 CYP26A1 (0.57) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL15551192 0.89 CYP26A1 (0.51) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL15550067 0.87 CYP26A1 (0.59) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL15548785 0.86 CYP26A1 (0.60) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL15551301 0.83 CYP26A1 (0.62) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL15551242 0.81 CYP26A1 (0.58) CYP26A1ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL4283358 0.72 CYP26A1 (1.00) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4284727 0.69 CYP26A1 (0.64) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4284732 0.68 CYP26A1 (0.64) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014093960-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2014-06-19 — — WO claimed
WO-2014015137-A2 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2014-01-23 — — WO claimed
WO-2014093960-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2014-06-19 — — WO disclosed
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