SCHEMBL27138253

SCHEMBL27138253

Cc1ccc(C(=O)O[C@@H]2[C@H](OC(=O)c3ccc(C)cc3)[C@]3(C(C)C)CC[C@@]2(C)CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LGALS9 O00182 1/20 0.35
▸ LGALS1 P09382 1/20 0.35

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
SCHEMBL27134203 1.00 ESR1 (0.42) ESR1SCN1ASCN2ASCN3ANR1I2
SCHEMBL27135013 0.89 SCN1A (0.50) ESR1SCN1ASCN2ASCN3ANR1I2
SCHEMBL27134207 0.88 POLB (0.45) ESR1NR1I2MAPTALDH1A1POLB
SCHEMBL27134010 0.88 GAA (0.46) ESR1NR1I2TDP1KMT2AMEN1
SCHEMBL27138250 0.88 GAA (0.46) ESR1NR1I2TDP1KMT2AMEN1
SCHEMBL27134209 0.87 CA1 (0.43) ESR1NR1I2MAPTKMT2AMEN1
SCHEMBL26709875 0.87 CA1 (0.43) ESR1NR1I2MAPTKMT2AMEN1
SCHEMBL27134218 0.86 NR1I2 (0.43) ESR1NR1I2TDP1POLBKMT2A
SCHEMBL27134217 0.86 CYP2D6 (0.38) ESR1NR1I2TDP1MAPTALDH1A1
SCHEMBL27134208 0.86 PDCD1 (0.47) ESR1SCN1ASCN2ASCN3ANR1I2

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-20240067764-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
US-20240067764-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
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