SCHEMBL5581994

SCHEMBL5581994

Cc1cc(Cc2cc(C)c(C(=O)O)c(C)c2)cc(C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.59
CXCL12 P48061 1/20 0.59
CYP3A4 P08684 3/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SHBG P04278 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 1/20 0.41
NOTUM Q6P988 1/20 0.40
LDHA P00338 4/20 0.39
LDHB P07195 4/20 0.39
PTPN1 P18031 1/20 0.39
SRD5A2 P31213 1/20 0.38
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL4356917 0.87 HMGB1 (0.67) HMGB1CXCL12CYP3A4ACHEALDH1A1
SCHEMBL9558209 0.87 SRD5A2 (0.59) HMGB1CXCL12ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10456973 0.84 CYP3A4 (0.47) HMGB1CXCL12CYP3A4ACHEALDH1A1
SCHEMBL15957662 0.84 CYP3A4 (0.47) HMGB1CXCL12CYP3A4ACHEALDH1A1
SCHEMBL17586552 0.80 PTGS1 (0.44) HMGB1CXCL12CYP3A4ACHEALDH1A1
SCHEMBL9858420 0.80 LDHA (0.49) HMGB1CXCL12CYP3A4ACHEALDH1A1
SCHEMBL21870 0.77 KDM4E (0.55) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL377596 0.77 KDM4E (0.55) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL900744 0.77 CYP3A4 (0.54) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL7170533 0.77 KDM4E (0.44) HMGB1CXCL12CYP3A4ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148480-A1 Laminate TEIJIN LIMITED (JP) 2007-06-28 US disclosed
EP-1698460-A1 MULTILAYER BODY TEIJIN LIMITED (JP) 2006-09-06 EP disclosed
US-20060134407-A1 Adhesive sheet and layered product TEIJIN LIMITED (JP) 2006-06-22 US disclosed
EP-1589086-A1 ADHESIVE SHEET AND LAYERED PRODUCT TEIJIN LIMITED (JP) 2005-10-26 EP disclosed
US-5183926-A Process for the preparation of aromatic dicarboxylic acids and aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed