SCHEMBL7218340

SCHEMBL7218340

CCCOc1ccc(Oc2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
FABP1 P07148 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
PLK1 P53350 1/20 0.34

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
SCHEMBL7222487 0.94 RARB (0.38) LTA4HTSHRLMNAMAPK1SMN1; SMN2
SCHEMBL7215727 0.93 KMT2A (0.44) LMNAL3MBTL1KMT2AMAPK1SMN1; SMN2
SCHEMBL7216635 0.89 LTA4H (0.39) LTA4HTSHRMAPK1SMN1; SMN2ACACB
SCHEMBL7252964 0.89 RARB (0.40) TSHRLMNAL3MBTL1KMT2ACYP2C19
SCHEMBL7216554 0.89 HRH3 (0.43) TSHRLMNAL3MBTL1KMT2ACYP2C19
SCHEMBL7223497 0.88 LMNA (0.44) TSHRLMNAL3MBTL1KMT2ACYP2C19
SCHEMBL7215993 0.87 KMT2A (0.39) LMNAL3MBTL1KMT2AMAPK1SMN1; SMN2
SCHEMBL7222347 0.87 ACACB (0.35) KMT2AACACBACACA
SCHEMBL7972262 0.85 RARB (0.45) TSHRKMT2ASMN1; SMN2TP53
SCHEMBL7216131 0.84 MAPT (0.36) LTA4HLMNAMAPK1SMN1; SMN2ACACB

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-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed