SCHEMBL31706713

SCHEMBL31706713

CC(C)c1cccc(C(C)C)c1OCCCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GABRA1 P14867 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL7622531 0.98 TSHR (0.47) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL31706520 0.98 TSHR (0.47) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL1772459 0.79 LMNA (0.60) CYP1A2CYP3A4MEN1CYP2C9CYP2C19
SCHEMBL13408055 0.79 TSHR (0.51) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL5873464 0.77 GABRA1 (0.50) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL13408054 0.76 TSHR (0.47) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL11112611 0.76 TSHR (0.47) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL10299386 0.76 TSHR (0.49) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL31706097 0.75 TSHR (0.46) TSHRALOX15SCN5ASCN9ASCN10A
SCHEMBL12414979 0.74 TSHR (0.48) TSHRALOX15SCN5ASCN9ASCN10A

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
WO-2025217552-A1 2-(TERT-BUTYL)-4-METHYLPHENYL APPENDED 1,4-DIAZEPANE BASED NOVEL TFEB ACTIVATING COMPOUNDS AS AUTOPHAGY MODULATORS FOR NEURODEGENERATIVE DISORDERS INCLUDING ALZHEIMER'S DISEASE (AD) MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2025-10-16 — — WO disclosed
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