SCHEMBL8931346

SCHEMBL8931346

CCC(C)Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LDHA P00338 1/20 0.50
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
GFER P55789 1/20 0.49
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PPARG P37231 1/20 0.47
EPHX2 P34913 1/20 0.45
SLC6A4 P31645 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL15583777 0.96 SMN1; SMN2 (0.48) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL269561 0.96 SMN1; SMN2 (0.48) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL20594558 0.90 TP53 (0.48) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL9513316 0.90 TP53 (0.48) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL24158118 0.89 PRSS1 (0.49) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL12154333 0.89 PRSS1 (0.49) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL21096571 0.89 PRSS1 (0.49) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL11600892 0.89 MAPT (0.60) SMN1; SMN2KMT2AMAPTPRSS1CA1
SCHEMBL18328861 0.87 TP53 (0.49) SMN1; SMN2LMNAKMT2AMAPTPRSS1
SCHEMBL11598712 0.87 MAPT (0.44) SMN1; SMN2KMT2AMAPTPRSS1ACR

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-5690857-A LIQUID CRYSTAL ENCAPSULATED AND COATED WITH A METAL OXIDE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-11-25 US disclosed
EP-0617730-B1 THERMOCHROMIC EFFECT PIGMENT AND PROCESS FOR PRODUCING THE SAME MERCK PATENT GMBH (DE) 1996-02-14 EP disclosed