SCHEMBL28069018

SCHEMBL28069018

Cc1cc(C(=O)Oc2ccc(N)cc2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.59
PRSS1 P07477 3/20 0.50
KMT2A Q03164 3/20 0.50
F2 P00734 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
PKM P14618 1/20 0.50
PDE10A Q9Y233 1/20 0.50
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 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
SCHEMBL14339402 0.91 NR1H4 (0.72) NR1H4PRSS1KMT2AF2PRSS2
SCHEMBL767642 0.87 KMT2A (0.50) NR1H4KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL767373 0.87 NR1H4 (0.54) NR1H4KMT2ALMNACYP3A4MAPT
SCHEMBL31574434 0.85 KMT2A (0.50) NR1H4KMT2ALMNACYP3A4TP53
SCHEMBL9788371 0.80 F2 (0.58) NR1H4PRSS1KMT2AF2PRSS2
SCHEMBL31574446 0.79 CA12 (0.46) NR1H4KMT2ACYP3A4TP53MAPT
SCHEMBL31574453 0.79 CA12 (0.46) NR1H4KMT2ACYP3A4TP53MAPT
SCHEMBL107649 0.79 PRSS1 (0.71) NR1H4PRSS1KMT2AF2PRSS2
SCHEMBL346698 0.79 PRSS1 (0.71) NR1H4PRSS1KMT2AF2PRSS2
SCHEMBL347429 0.79 PRSS1 (0.71) NR1H4PRSS1KMT2AF2PRSS2

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
CN-103694869-B Heat-resistant, wear-resistant alkyd resins paint for a kind of copper sculpture TONGLING XINJIUDING COPPER CULTURE INDUSTRY CO., LTD. (CN) 2016-05-04 CN disclosed