SCHEMBL21096818

SCHEMBL21096818

Cc1cccc(Cc2ccc(O)c(C)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.74
▸ ESR2 Q92731 1/20 0.74
▸ TP53 P04637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ IDH1 O75874 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ DAO P14920 2/20 0.43
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HNF4A P41235 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41

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
SCHEMBL36509 0.86 ESR1 (1.00) ESR1ESR2TP53TDP1IDH1
SCHEMBL29485633 0.86 ESR1 (1.00) ESR1ESR2TP53TDP1IDH1
SCHEMBL29357262 0.86 ESR1 (1.00) ESR1ESR2TP53TDP1IDH1
SCHEMBL22271409 0.85 ESR1 (0.54) ESR1ESR2TP53TDP1IDH1
SCHEMBL9450817 0.85 ESR1 (0.80) ESR1ESR2TP53TDP1IDH1
SCHEMBL14549314 0.82 ESR1 (0.83) ESR1ESR2TP53TDP1IDH1
SCHEMBL8093804 0.82 TAAR1 (0.56) IDH1TAAR1LTA4HIDO1DAO
SCHEMBL29459538 0.82 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL30000562 0.82 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL1263547 0.82 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230333470-A1 CHEMICAL-RESISTANT PROTECTIVE FILM NISSAN CHEMICAL CORPORATION (JP) 2023-10-19 — — US disclosed
EP-3498788-B1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA GEVAERT NV (BE) 2023-05-03 — — EP disclosed
EP-2955576-B1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-07-22 — — EP disclosed
EP-3498788-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS Agfa-Gevaert (BE) 2019-06-19 — — EP disclosed
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