SCHEMBL11104232

SCHEMBL11104232

CCCOc1ccc(OC(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
NPC1 O15118 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
KMT2A Q03164 4/20 0.52
FAAH O00519 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RARB P10826 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PTPN7 P35236 1/20 0.50
DUSP3 P51452 1/20 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
SCHEMBL11101882 1.00 MAPT (0.59) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11100620 0.94 LMNA (0.60) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11105552 0.94 LMNA (0.60) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11106241 0.92 LMNA (0.65) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11105742 0.92 LMNA (0.65) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11101364 0.91 NPC1 (0.66) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11110703 0.91 NPC1 (0.66) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11103987 0.91 NPC1 (0.66) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11097628 0.91 NPC1 (0.66) MAPTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL11099582 0.91 NPC1 (0.66) MAPTSMN1; SMN2LMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473487-A 4-Fluorobiphenyl derivatives, their preparation, and dielectrics and electro-optical display element containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-25 US disclosed