SCHEMBL7616078

SCHEMBL7616078

Cc1ccc(CCCCCCCCCCC(Cl)(Cl)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LTB4R Q15722 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9056155 0.92 S1PR2 (0.46) S1PR2S1PR4S1PR1S1PR3THRA
SCHEMBL7615412 0.85 HDAC3 (0.49) S1PR2S1PR4S1PR1S1PR3IGF1R
SCHEMBL682183 0.85 HDAC3 (0.49) S1PR2S1PR4S1PR1S1PR3IGF1R
SCHEMBL7620776 0.85 HDAC3 (0.49) S1PR2S1PR4S1PR1S1PR3IGF1R
SCHEMBL7614058 0.85 MAPT (0.55) LTB4RNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7620987 0.85 MAPT (0.55) LTB4RNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7620869 0.85 MAPT (0.55) LTB4RNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7614749 0.85 MAPT (0.55) LTB4RNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7620024 0.85 MAPT (0.55) LTB4RNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7615234 0.85 MAPT (0.55) LTB4RNPC1RAB9ASMN1; SMN2TDP1

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
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed