SCHEMBL9437433

SCHEMBL9437433

CCCCCCCCC(CCCCCC)COc1ccccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PPARG P37231 4/20 0.43
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39

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
SCHEMBL990998 0.88 ALDH1A1 (0.52) PRSS1PRSS2PRSS3CYP3A4MEN1
SCHEMBL762349 0.83 KDM4E (0.49) PRSS1PRSS2PRSS3PPARGCYP3A4
SCHEMBL9437435 0.81 PRSS1 (0.47) PRSS1PRSS2PRSS3PPARGCYP3A4
SCHEMBL10336842 0.81 CYP1A2 (0.60) PRSS1PRSS2PRSS3PPARGCYP3A4
SCHEMBL13007524 0.80 ADRB2 (0.44) PRSS1PRSS2PRSS3ADRA2APTGS2
SCHEMBL2679382 0.80 LMNA (0.58) PPARGCYP3A4MEN1NR1I2LMNA
SCHEMBL2679170 0.80 LMNA (0.58) PPARGCYP3A4MEN1NR1I2LMNA
SCHEMBL57744 0.80 LMNA (0.58) PPARGCYP3A4MEN1NR1I2LMNA
SCHEMBL991008 0.80 LMNA (0.58) PPARGCYP3A4MEN1NR1I2LMNA
SCHEMBL991604 0.80 LMNA (0.58) PPARGCYP3A4MEN1NR1I2LMNA

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-5336590-A For obtaining dupe negatives of high image quality FUJI PHOTO FILM CO., LTD. (JP) 1994-08-09 US disclosed