SCHEMBL9621386

SCHEMBL9621386

Clc1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.OP(O)Oc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
FFAR1 O14842 1/20 0.33
SLC6A4 P31645 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPK13 O15264 1/20 0.32
GCGR P47871 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL10598569 0.82 FABP4 (0.36) SLC6A3FFAR4SLC6A4PTGDR2CYP1A2
SCHEMBL675482 0.80 HNF4A (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL29924556 0.80 HNF4A (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9621329 0.76 HDAC4 (0.46) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL4965147 0.76 SYK (0.37) ALDH1A1HTTGPR84KMT2AMEN1
SCHEMBL9621387 0.75 PTGDR2 (0.34) SLC6A3PTGDR2HTTCYP2C9
SCHEMBL8989572 0.74 MAPK1 (0.38) RAB9AALDH1A1MAPTHTTHPGD
SCHEMBL8768246 0.73 TSHR (0.46) SLC6A3SLC6A4NPC1RAB9ASMN1; SMN2
SCHEMBL28420810 0.71 HNF4A (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31186148 0.69 ALDH1A1 (0.33) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD

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
EP-0306094-B1 PROCESS FOR THE HYDROFORMYLATION OF CERTAIN ACRYLIC ACID DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-29 EP disclosed