SCHEMBL8992898

SCHEMBL8992898

CC(=O)c1ccc(C(C)(C)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ESR1 P03372 2/20 0.57
▸ ESR2 Q92731 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ KIF11 P52732 2/20 0.54
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ NR3C2 P08235 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2C19 P33261 1/20 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
SCHEMBL9472225 0.91 HPGD (0.50) MAPTALDH1A1SMN1; SMN2ESR1ESR2
SCHEMBL5955919 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ESR1ESR2CYP3A4
SCHEMBL2689876 0.83 ESR1 (0.67) MAPTALDH1A1ESR1ESR2CYP3A4
SCHEMBL11586013 0.83 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2ESR1ESR2
Bicarbonate SCHEMBL10822897 0.82 ESR1 (0.65) MAPTALDH1A1ESR1ESR2CYP3A4
Bicarbonate SCHEMBL5607713 0.82 ESR1 (0.65) MAPTALDH1A1ESR1ESR2CYP3A4
SCHEMBL20346185 0.82 MAPT (0.69) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2610305 0.82 MAPT (0.55) MAPTALDH1A1SMN1; SMN2KIF11HPGD
SCHEMBL7929159 0.82 MAOB (0.49) MAPTALDH1A1SMN1; SMN2ESR1ESR2
SCHEMBL11623379 0.82 MAPT (0.55) MAPTALDH1A1SMN1; SMN2KIF11HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671169-B2 Polycarbonate-polyester block copolymer compositions, methods, and articles SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-03-02 — — US disclosed
US-20080300379-A1 POLYCARBONATE-POLYESTER BLOCK COPOLYMER COMPOSITIONS, METHODS, AND ARTICLES SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2008-12-04 — — US disclosed
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 — — US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 — — US disclosed
US-4202894-A AGRICULTURE HOFFMANN-LA ROCHE INC. (US) 1980-05-13 — — US disclosed
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