SCHEMBL9695315

SCHEMBL9695315

CCCCCOC(=O)c1ccc(-c2ncc(CCCCC)cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.67
▸ MAPT P10636 6/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ RNASEL Q05823 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 2/20 0.50

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
SCHEMBL9695660 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9693546 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9693268 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9694831 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL21346778 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9695253 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9693500 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9694891 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9694544 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1
SCHEMBL9694720 0.99 RARB (0.70) RARBMAPTRAB9AALDH1A1NPC1

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-5124068-A Liquid crystal displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-06-23 — — US disclosed
US-5043093-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-08-27 — — US disclosed
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