SCHEMBL8666222

SCHEMBL8666222

CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)O)CC(C(=O)N2CCOCC2)C1c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.40
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CTSS P25774 6/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TLR2 O60603 2/20 0.34
▸ TLR1 Q15399 2/20 0.34
▸ ADAM10 O14672 1/20 0.34
▸ ERBB2 P04626 1/20 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
SCHEMBL8670628 0.88 SIGMAR1 (0.41) SIGMAR1CTSSTSHRCTSKMEN1
SCHEMBL8667685 0.83 HDAC8 (0.38) SIGMAR1TSHRMEN1ALDH1A1KMT2A
SCHEMBL8668252 0.82 SIGMAR1 (0.39) SIGMAR1CTSSTSHRCTSKMEN1
SCHEMBL8671876 0.82 SIGMAR1 (0.37) SIGMAR1CTSSCTSKTLR2TLR1
SCHEMBL8672121 0.82 SIGMAR1 (0.45) SIGMAR1TSHRMEN1ALDH1A1KMT2A
SCHEMBL8668716 0.81 FKBP1A (0.39) CTSSTSHRATMKDM1ACTSL
SCHEMBL8670608 0.78 SIGMAR1 (0.38) SIGMAR1CTSSCTSKKMT2AL3MBTL1
SCHEMBL8668739 0.76 ACE (0.47) SIGMAR1TSHRKDM1AMEN1ALDH1A1
SCHEMBL8666218 0.76 SIGMAR1 (0.35) SIGMAR1ADRB2ADRB1ADRB3CTSS
SCHEMBL8668231 0.75 SIGMAR1 (0.41) SIGMAR1TSHRMEN1ALDH1A1KMT2A

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-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
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