SCHEMBL6302591

SCHEMBL6302591

O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 1.00
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCB11 O95342 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6307834 0.91 CCR2 (0.84) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5214630 0.89 CCR2 (0.80) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6599738 0.88 CCR2 (1.00) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5214863 0.86 CCR2 (0.76) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6307042 0.86 CCR2 (0.77) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5213947 0.86 CCR2 (0.77) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5221748 0.84 CCR2 (0.74) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL14809705 0.83 CCR2 (0.70) CCR2ALDH1A1LMNAHPGDKDM4E
SCHEMBL5214639 0.81 CCR2 (0.69) CCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5214627 0.81 CCR2 (0.69) CCR2ALDH1A1LMNACYP1A2CYP3A4

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
US-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US claimed