SCHEMBL778487

SCHEMBL778487

Cc1ccc(C(=O)c2cc(C)c(C(=O)P(=O)(O)O)c(-c3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SRD5A2 P31213 1/20 0.41
CNR1 P21554 2/20 0.39
AKR1C3 P42330 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 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
SCHEMBL778488 0.82 AKR1C3 (0.41) CNR2ALDH1A1LMNASRD5A2AKR1C3
SCHEMBL776598 0.79 HDAC7 (0.48) ALDH1A1LMNAHDAC7TDP1L3MBTL1
SCHEMBL29066922 0.73 CNR2 (0.57) CNR2ALDH1A1LMNASRD5A2CNR1
SCHEMBL30570885 0.73 CNR2 (0.57) CNR2ALDH1A1LMNASRD5A2CNR1
SCHEMBL779661 0.72 HDAC7 (0.44) ALDH1A1LMNAHDAC7L3MBTL1HPGD
SCHEMBL10277487 0.71 L3MBTL1 (0.40) ALDH1A1LMNAHDAC7TDP1L3MBTL1
SCHEMBL10005604 0.71 ALDH1A1 (0.59) CNR2ALDH1A1LMNASRD5A2CNR1
SCHEMBL6454988 0.71 ALDH1A1 (0.59) CNR2ALDH1A1LMNASRD5A2CNR1
SCHEMBL3288949 0.71 LMNA (0.59) ALDH1A1LMNASRD5A2AKR1C3TDP1
SCHEMBL777792 0.70 LMNA (0.44) CNR2ALDH1A1LMNASRD5A2AKR1C3

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-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed