SCHEMBL11181528

SCHEMBL11181528

CCCCCCc1cnc(-c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ RARB P10826 4/20 0.62
▸ NPC1 O15118 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ NFKB1 P19838 3/20 0.58
▸ NFKB2 Q00653 3/20 0.58
▸ RELA Q04206 3/20 0.58
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 1/20 0.54
▸ THRB P10828 2/20 0.54
▸ TSHR P16473 1/20 0.51
▸ PRSS1 P07477 1/20 0.50
▸ ACR P10323 1/20 0.50
▸ RAB9A P51151 2/20 0.49

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
SCHEMBL9817443 0.97 RARB (0.64) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL11193052 0.97 RARB (0.64) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817442 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817412 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817575 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817321 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817440 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817695 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817342 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA
SCHEMBL9817469 0.94 RARB (0.70) MAPTSMN1; SMN2RARBNPC1LMNA

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
EP-0025119-B1 NEMATIC CRYSTALLINE-LIQUID 5-ALKYL-2-(4-ACYLOXYPHENYL)-PYRIMIDINES FOR OPTO-ELECTRONIC ARRANGEMENTS AND PROCESS FOR THEIR PREPARATION VEB Werk Für Fernsehelektronik im VEB Kombinat Mikroelektronik (DD) 1983-05-25 — — EP claimed
EP-0025119-A1 Nematic crystalline-liquid 5-alkyl-2-(4-acyloxyphenyl)-pyrimidines for opto-electronic arrangements and process for their preparation VEB Werk Für Fernsehelektronik im VEB Kombinat Mikroelektronik (DD) 1981-03-18 — — EP claimed
EP-0025119-B1 NEMATIC CRYSTALLINE-LIQUID 5-ALKYL-2-(4-ACYLOXYPHENYL)-PYRIMIDINES FOR OPTO-ELECTRONIC ARRANGEMENTS AND PROCESS FOR THEIR PREPARATION VEB Werk Für Fernsehelektronik im VEB Kombinat Mikroelektronik (DD) 1983-05-25 — — EP disclosed
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