SCHEMBL6981268

SCHEMBL6981268

Cc1cc(C(C)(Oc2ccccc2)C(=O)O)ccc1NC(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL6982863 0.84 MAPT (0.45) RAF1MAPTHTTPPARARAB9A
SCHEMBL6975862 0.75 RAF1 (0.42) RAF1PPARARAB9AMEN1KMT2A
SCHEMBL12782339 0.72 RAB9A (0.60) MAPTHTTRAB9AMEN1KMT2A
SCHEMBL5691818 0.72 PPARG (0.61) MAPTPPARARAB9AMEN1KMT2A
SCHEMBL11749750 0.70 RAB9A (0.60) RAF1RAB9AMEN1KMT2ACYP1A2
SCHEMBL11751476 0.69 KMT2A (0.50) MAPTHTTRAB9AMEN1KMT2A
SCHEMBL6984071 0.68 PPARG (0.45) RAF1MAPTHTTMEN1KMT2A
SCHEMBL6977143 0.68 MAPT (0.41) RAF1MAPTHTTPPARARAB9A
SCHEMBL25494271 0.68 MEN1 (0.45) MAPTHTTRAB9AMEN1KMT2A
SCHEMBL10695273 0.65 ITGB3 (0.54) MAPTHTTRAB9AMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 — — EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 — — US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 — — EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 — — WO disclosed
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