SCHEMBL11138403

SCHEMBL11138403

CCCCCCc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
LMNA P02545 4/20 0.67
NPC1 O15118 3/20 0.67
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
MAPT P10636 4/20 0.60
PRSS1 P07477 1/20 0.60
ACR P10323 1/20 0.60
KMT2A Q03164 3/20 0.59
THRB P10828 2/20 0.58
THRA P10827 1/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL11133722 1.00 SMN1; SMN2 (0.67) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL13749536 1.00 SMN1; SMN2 (0.67) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL4955236 1.00 SMN1; SMN2 (0.67) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL13783614 1.00 SMN1; SMN2 (0.67) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9855583 0.99 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL21124189 0.99 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL4171854 0.99 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL21084423 0.99 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL21084486 0.99 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL16476681 0.99 LMNA (0.69) SMN1; SMN2LMNANPC1NFKB1NFKB2

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-4385844-A THERMOSENSITIVE NON-CHLOLESTERIC COMPOUND AND ALKYLBENZOATE LIQUID CRYSTALS BECTON, DICKINSON AND COMPANY (US) 1983-05-31 US disclosed
US-4296631-A AND METHOD OF MODIFYING THE HYSTERETIC BEHAVIOR BECTON, DICKINSON AND COMPANY (US) 1981-10-27 US disclosed
US-4140016-A CHOLESTERIC LIQUID CRYSTAL THERMOMETERS, BENZOIC ESTER DERIVATIVES BECTON, DICKINSON AND COMPANY (US) 1979-02-20 US disclosed
US-4128312-A INDIUM AND/OR TIN OXIDES HUGHES AIRCRAFT COMPANY (US) 1978-12-05 US disclosed