SCHEMBL9006818

SCHEMBL9006818

O=C(O)C1(O)C=CC=C(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC4 P56524 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL4002907 0.87 LMNA (0.33) THRBTDP1HDAC1HDAC2HDAC4
SCHEMBL6849682 0.85 CYP3A4 (0.31) TDP1ALDH1A1
SCHEMBL4619747 0.81 HDAC4 (0.33) THRBTDP1HDAC1HDAC2HDAC4
SCHEMBL8957775 0.78 HDAC1 (0.37) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL29007685 0.78 HDAC4 (0.32) THRBTDP1HDAC4NPC1RAB9A
SCHEMBL28926102 0.78 HDAC4 (0.32) THRBTDP1HDAC4NPC1RAB9A
Methane SCHEMBL28875106 0.77 HDAC1 (0.36) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL28658397 0.76 HDAC1 (0.33) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL27668644 0.76 HDAC4 (0.31) HDAC4NPC1RAB9ALMNA
SCHEMBL29283410 0.76 HDAC4 (0.31) HDAC4NPC1RAB9A

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
CN-1090184-C Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-04 CN disclosed
CN-1046714-C Diaryl oxazole derivative and its preparation method, application and pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
CN-1229795-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-29 CN disclosed
CN-1138328-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-12-18 CN disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed