SCHEMBL8668744

SCHEMBL8668744

Cc1ccccc1CC#C[CH]O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.39
▸ KMT2A Q03164 5/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CTBP2 P56545 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL8668748 0.76 TAAR1 (0.42) TAAR1KMT2AGAAALDH1A1HPGD
SCHEMBL1612108 0.74 TAAR1 (0.43) TAAR1KMT2AALDH1A1MEN1HPGD
SCHEMBL11687737 0.73 TAAR1 (0.46) TAAR1KMT2AGAAALDH1A1HPGD
SCHEMBL28772084 0.71 CYP1A2 (0.47) TAAR1KMT2AALDH1A1MEN1HPGD
SCHEMBL811980 0.69 TAAR1 (0.52) TAAR1KMT2AGAAALDH1A1MEN1
SCHEMBL6085811 0.69 TAAR1 (0.46) TAAR1KMT2AGAAALDH1A1MEN1
SCHEMBL3645165 0.69 TAAR1 (0.46) TAAR1KMT2AALDH1A1MEN1HPGD
SCHEMBL102904 0.69 ALDH1A1 (0.47) TAAR1KMT2AGAAALDH1A1MEN1
SCHEMBL1610575 0.69 TAAR1 (0.46) TAAR1KMT2AALDH1A1MEN1HPGD
SCHEMBL31426960 0.69 ALDH1A1 (0.47) TAAR1KMT2AGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 — — US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 — — US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 — — EP disclosed
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