SCHEMBL25604264

SCHEMBL25604264

COC(=O)C(C)(C)CC(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
KCNN4 O15554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPA1 O75762 2/20 0.43
RIPK1 Q13546 2/20 0.43
TSHR P16473 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
AOC3 Q16853 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16523042 0.87 TRPA1 (0.41) KMT2AHPGDALDH1A1TRPA1RIPK1
SCHEMBL13197307 0.85 ALDH1A1 (0.46) KMT2AALDH1A1TSHRMEN1RAB9A
SCHEMBL17123620 0.85 RIPK1 (0.46) HPGDALDH1A1TRPA1RIPK1TAAR1
SCHEMBL84330 0.84 TRPA1 (0.39) HPGDALDH1A1TRPA1RIPK1RAB9A
SCHEMBL10021588 0.84 ALDH1A1 (0.43) KMT2AHPGDKCNN4ALDH1A1RIPK1
SCHEMBL17590551 0.84 PTGES2 (0.43) KMT2ATSHRMEN1RAB9ACYP3A4
SCHEMBL12258178 0.83 HPGD (0.46) KMT2AHPGDALDH1A1TRPA1RIPK1
SCHEMBL585429 0.82 TRPA1 (0.48) HPGDTRPA1RIPK1TAAR1AOC3
SCHEMBL1616269 0.82 MAPT (0.44) KMT2AKCNN4ALDH1A1RIPK1TSHR
SCHEMBL18382473 0.82 KCNN4 (0.43) KMT2AHPGDKCNN4ALDH1A1RIPK1

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-20230159690-A1 SYNTHESIS AND APPLICATIONS OF POLYMERS OF PENTADECYL CAPROLACTONE NATIONAL SCIENCE FOUNDATION 2023-05-25 US disclosed