SCHEMBL29771832

SCHEMBL29771832

Cc1ccc(O)c2c(C)c(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 13/20 0.46
▸ ESR1 P03372 11/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PIM1 P11309 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
SCHEMBL21066518 1.00 ESR2 (0.46) ESR2ESR1OPRK1KMT2AALDH1A1
SCHEMBL21066530 0.81 ESR2 (0.50) ESR2ESR1OPRK1KMT2AHPGD
SCHEMBL29771851 0.81 ESR2 (0.50) ESR2ESR1OPRK1KMT2AHPGD
SCHEMBL21066555 0.76 HPGD (0.65) OPRK1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL29771822 0.76 HPGD (0.65) OPRK1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL29764048 0.76 OPRK1 (0.45) ESR2ESR1OPRK1KMT2AALDH1A1
SCHEMBL29244939 0.76 OPRK1 (0.45) ESR2ESR1OPRK1KMT2AALDH1A1
SCHEMBL19012038 0.75 ESR2 (0.47) ESR2ESR1ALDH1A1CYP3A4HPGD
SCHEMBL12401850 0.74 TDP1 (0.61) ESR2ESR1OPRK1KMT2AALDH1A1
SCHEMBL15586477 0.73 PIM1 (0.50) ESR2ESR1OPRK1KMT2AALDH1A1

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-109960111-B Composition for forming organic film, substrate for manufacturing semiconductor device, method for forming organic film, and method for forming pattern 信越化学工业株式会社 2022-07-12 — — CN disclosed
Send feedback