SCHEMBL28537883

SCHEMBL28537883

CCCCc1cc(O)ccc1C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA14 Q9ULX7 4/20 0.62
TYR P14679 2/20 0.50
EGFR P00533 2/20 0.50
SERPINE1 P05121 1/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 1/20 0.47
MIF P14174 1/20 0.47
PFKFB3 Q16875 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TSHR P16473 3/20 0.46
KDM4E B2RXH2 1/20 0.45
NOD2 Q9HC29 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 3/20 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
SCHEMBL127366 0.94 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL1193719 0.91 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL2584734 0.90 SERPINE1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL10006039 0.90 TSHR (0.56) CA12CA1CA2CA7CA9
SCHEMBL27533460 0.87 TSHR (0.57) SERPINE1ESR1TSHRKDM4ELMNA
SCHEMBL6035520 0.87 TSHR (0.57) SERPINE1ESR1TSHRKDM4ELMNA
SCHEMBL28565752 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL542402 0.85 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL25393746 0.84 TSHR (0.57) TYRSERPINE1ESR1TSHRKDM4E
SCHEMBL5317593 0.84 TSHR (0.57) TYRSERPINE1ESR1TSHRKDM4E

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-107329367-B Photosensitive resin composition, method for producing cured relief pattern, semiconductor device, and display device 旭化成株式会社 2021-03-23 CN disclosed