SCHEMBL25877374

SCHEMBL25877374

Cc1cc(CO)cc(Cc2cc(C)cc(CO)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
ACHE P22303 2/20 0.42
IDH1 O75874 1/20 0.39
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TPMT P51580 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32

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
SCHEMBL501769 0.92 PGK1 (0.48) SHBGPGK1PGK2ACHEIDH1
SCHEMBL21171360 0.91 HDAC8 (0.41) SHBGPGK1PGK2ACHEIDH1
SCHEMBL92965 0.86 ACHE (0.48) SHBGPGK1PGK2ACHEIDH1
SCHEMBL20649211 0.86 ACHE (0.53) SHBGACHEIDH1ESR1ESR2
Methoxymethane SCHEMBL27768340 0.84 PGK1 (0.43) PGK1PGK2ACHEALDH1A1TPMT
SCHEMBL16952582 0.82 PGK1 (0.41) PGK1PGK2ACHEALDH1A1TPMT
SCHEMBL21096810 0.81 SHBG (0.79) SHBGPGK1PGK2ACHEESR1
SCHEMBL3588189 0.80 IDH1 (0.46) SHBGPGK1PGK2ACHEIDH1
SCHEMBL16956257 0.78 PGK1 (0.39) PGK1PGK2ACHEALDH1A1
SCHEMBL4848593 0.77 ACHE (0.67) SHBGPGK1PGK2ACHEALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230205086-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING DIOL STRUCTURE NISSAN CHEMICAL CORPORATION (JP) 2023-06-29 US disclosed
US-20230205086-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING DIOL STRUCTURE NISSAN CHEMICAL CORPORATION (JP) 2023-06-29 US disclosed