SCHEMBL7723689

SCHEMBL7723689

CCN(C(C)=O)c1ccccc1C

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
CYP3A4 P08684 2/20 0.63
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
GLA P06280 1/20 0.46

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
SCHEMBL22605727 0.85 TP53 (0.54) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL7653267 0.85 CYP3A4 (0.63) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL7867200 0.83 CYP3A4 (0.61) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL27320089 0.82 TSHR (0.47) LMNACYP3A4NPSR1TSHRKMT2A
SCHEMBL11446155 0.82 ALDH1A1 (0.62) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL9469240 0.81 LMNA (0.47) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL12679901 0.81 CYP3A4 (0.55) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL9081949 0.81 ALDH1A1 (0.46) LMNACYP3A4NPSR1TSHRKMT2A
SCHEMBL4055701 0.80 CYP3A4 (0.58) LMNACYP3A4NPSR1TSHRTRPM8
SCHEMBL18843242 0.80 KMT2A (0.59) LMNACYP3A4NPSR1TSHRTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786483-B1 Process for an activated anionic lactam polymerisation INVENTA AG (CH) 2000-04-19 EP claimed
US-5756647-A LIQUID SYSTEM: CATALYST, ACTIVATOR AND SOLVENT EMS-INVENTA AG (CH) 1998-05-26 US claimed
CN-107922428-A Thienopyrroles compound and its purposes as the inhibitor for piercing shrimp source property luciferase 普洛麦格公司 2018-04-17 CN disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
EP-0782861-B1 DRUG COMPOUNDING INGREDIENTS COMPRISING N-SUBSTITUTED-O-TOLUIDINE DERIVATIVE AND PERCUTANEOUSLY ABSORBABLE PREPARATION HISAMITSU PHARMACEUTICAL CO (JP) 2001-12-12 EP disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed
US-5891920-A Medicinal adjuvants consisting of N-subsitituted-o-toluidine derivatives, and percutaneously absorbable preparations comprising the adjuvants HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1999-04-06 US disclosed
WO-1998051153-A1 HERBICIDAL METHODS AND DERIVATIVES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-11-19 WO disclosed
US-5760164-A STORAGE STABILITY EMS-INVENTA AG (CH) 1998-06-02 US disclosed
EP-0782861-A1 DRUG COMPOUNDING INGREDIENTS COMPRISING N-SUBSTITUTED-O-TOLUIDINE DERIVATIVE AND PERCUTANEOUSLY ABSORBABLE PREPARATION Hisamitsu Pharmaceutical Co., Inc. (JP) 1997-07-09 EP disclosed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP disclosed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO disclosed