SCHEMBL7832001

SCHEMBL7832001

Cc1[nH]c2c(F)c(F)c(O)cc2c1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 11/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ GAA P10253 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PTGES O14684 3/20 0.46
▸ STAT1 P42224 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL7835270 0.84 ALOX5 (0.57) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL7823354 0.83 ALOX5 (0.56) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL7832879 0.82 ALOX5 (0.54) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL7823567 0.81 MAPT (0.52) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL7834393 0.79 MAPT (0.54) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL7833693 0.77 MAPT (0.52) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL6315808 0.76 GAA (0.74) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL7824638 0.75 RAB9A (0.47) ALOX5KMT2AMAPTGAAMEN1
SCHEMBL22548001 0.73 RAB9A (0.72) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL6315952 0.71 GAA (0.56) ALOX5KMT2AMAPTGAAMEN1

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-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 — — EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
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