SCHEMBL14077431

SCHEMBL14077431

Cc1cccc(Cc2ccc3c(c2)C(=O)C(C)C3=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.33
▸ DAO P14920 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ GPR55 Q9Y2T6 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ STING1 Q86WV6 1/20 0.32
▸ TYMP P19971 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL10022813 0.74 ACHE (0.39) ACHEALDH1A1CD274
SCHEMBL9177068 0.72 ESR1 (0.41) ACHELMNAMAPTMAPK1GLA
SCHEMBL10022814 0.71 ALDH1A1 (0.40) NPC1ALDH1A1LMNAMAPTESR1
SCHEMBL3306785 0.69 ESR1 (0.47) ACHEALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8100447 0.69 TAAR1 (0.47) ACHEDAOCNR2CNR1
SCHEMBL11744689 0.68 POLB (0.41) NPC1MAPK1RAB9ASMN1; SMN2ESR1
SCHEMBL7713449 0.67 ESR1 (0.48) LMNAMAPTMAPK1SMN1; SMN2CNR2
SCHEMBL10022812 0.67 KDM4C (0.45) ALDH1A1LMNA
SCHEMBL1276090 0.66 CALM1 (0.48) NPC1RAB9ASMN1; SMN2CNR2GPR55
SCHEMBL21189854 0.66 MAOA (0.43) NPC1ALDH1A1RAB9ACNR2GPR55

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-8993710-B1 Polyimides derived from novel asymmetric benzophenone dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2015-03-31 — — US disclosed
US-7425650-B1 Synthesis of asymmetric tetracarboxylic acids and corresponding dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2008-09-16 — — US disclosed
US-7381849-B1 Synthesis of asymmetric tetracarboxylic acids and dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-06-03 — — US disclosed
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