SCHEMBL9855583

SCHEMBL9855583

CCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCCCCC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NPC1 O15118 3/20 0.69
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69
RELA Q04206 3/20 0.69
CYP3A4 P08684 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
MAPT P10636 3/20 0.60
POLB P06746 1/20 0.60
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59
PLA2G4B P0C869 1/20 0.58
KMT2A Q03164 2/20 0.58
THRA P10827 1/20 0.57

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
SCHEMBL13325825 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL13572530 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL16476681 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL12299687 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL19460698 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL4171854 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL21084423 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL21124189 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL21084486 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10909649 1.00 LMNA (0.69) LMNASMN1; SMN2NPC1NFKB1NFKB2

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-5075032-A Electrooptics, switches, displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-12-24 US disclosed
US-4886620-A Smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US disclosed