SCHEMBL9722126

SCHEMBL9722126

C=CC(=O)OCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(CCCCC)cn3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.68
▸ SMN1; SMN2 Q16637 7/20 0.68
▸ THRB P10828 3/20 0.61
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ NFKB1 P19838 4/20 0.53
▸ NFKB2 Q00653 4/20 0.53
▸ RELA Q04206 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TP53 P04637 1/20 0.52
▸ CASP3 P42574 2/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ LMNA P02545 3/20 0.49
▸ STAT3 P40763 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL9722357 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722195 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722390 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722295 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722257 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722325 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722301 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722327 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722239 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL9722313 1.00 MAPT (0.68) MAPTSMN1; SMN2THRBNPC1RAB9A

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
US-5164111-A Polymerizable liquid-crystal material and polymers exhibiting liquid-crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 — — US disclosed
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