SCHEMBL6983841

SCHEMBL6983841

Cc1cc(C(Oc2ccccc2)C(=O)OC(C)(C)C)ccc1NC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ CISD2 Q8N5K1 1/20 0.35
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ ABCC9 O60706 2/20 0.34
▸ ABCC8 Q09428 2/20 0.34
▸ KCNJ11 Q14654 2/20 0.34
▸ KCNJ8 Q15842 2/20 0.34

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
SCHEMBL6973224 0.86 PPARA (0.43) LMNAKMT2ANPSR1CYP1A2CYP2C19
SCHEMBL6979803 0.77 PPARG (0.45) KMT2AMAPTL3MBTL1PPARAALDH1A1
SCHEMBL6975862 0.77 RAF1 (0.42) LMNAKMT2ANPSR1RAF1POLB
SCHEMBL6982722 0.74 KEAP1 (0.45) CYP1A2CYP2C19MAPTCYP2C9POLB
SCHEMBL6971214 0.71 PPARG (0.43) KMT2AMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL6982573 0.71 F10 (0.45) LMNAKMT2AMAPTL3MBTL1GLA
SCHEMBL6983394 0.71 PPARG (0.44) KMT2ANPSR1CYP1A2L3MBTL1PPARA
SCHEMBL8715695 0.70 ATM (0.42) LMNAKMT2ACYP1A2CYP2C19MAPT
SCHEMBL7372312 0.70 KMT2A (0.47) LMNAKMT2ANPSR1CYP1A2CYP2C19
SCHEMBL2172054 0.69 AKR1C3 (0.48) LMNAKMT2ANPSR1CYP1A2CYP2C19

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
Send feedback