SCHEMBL18200227

SCHEMBL18200227

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.60
▸ MAPT P10636 6/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ NFKB2 Q00653 3/20 0.52
▸ RELA Q04206 3/20 0.52
▸ PRSS1 P07477 1/20 0.50
▸ ACR P10323 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL16379476 1.00 THRB (0.60) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL12114898 1.00 THRB (0.60) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL16379472 1.00 THRB (0.60) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL14907484 0.99 THRB (0.59) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL16379445 0.99 THRB (0.61) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL16379446 0.97 THRB (0.61) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL17147727 0.95 THRB (0.54) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL17279042 0.94 THRB (0.58) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL16379471 0.94 THRB (0.58) THRBMAPTSMN1; SMN2NPC1LMNA
SCHEMBL17279041 0.94 THRB (0.58) THRBMAPTSMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10473820-B2 Compound containing mesogenic group, and mixture, composition, and optically anisotropic body using said compound DIC CORPORATION (JP) 2019-11-12 — — US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 — — US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 — — US disclosed
EP-3088426-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC Corporation (JP) 2016-11-02 — — EP disclosed
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